#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dx8 s SER 2 N 0.00 6.92 0.06 1.61 0.15 -1.26 -2.61 113.70 118.57 3dx8 s SER 2 Ca 0.00 1.23 -0.04 0.00 0.70 0.00 0.00 55.95 57.83 3dx8 s SER 2 Cb 0.00 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.94 3dx8 s SER 2 CO 0.00 0.07 0.07 -1.00 1.20 0.00 0.00 173.24 173.58 3dx8 s HIS 3 N -1.50 0.34 0.04 3.44 0.09 -0.12 -4.99 115.29 112.60 3dx8 s HIS 3 Ca 0.40 -0.81 0.04 0.00 -0.00 0.00 0.00 55.06 54.69 3dx8 s HIS 3 Cb -0.16 -0.23 -0.02 0.00 -0.00 0.00 0.00 32.58 32.17 3dx8 s HIS 3 CO 0.20 -0.44 -0.12 -1.54 -0.00 0.00 0.00 174.74 172.83 3dx8 s SER 4 N -2.80 1.42 -0.09 1.40 1.04 -1.26 0.21 113.70 113.62 3dx8 s SER 4 Ca 0.05 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 56.02 3dx8 s SER 4 Cb 0.06 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.12 3dx8 s SER 4 CO -0.10 -0.04 -0.18 -0.32 0.98 0.00 0.00 173.24 173.59 3dx8 s MET 5 N -1.29 2.35 0.01 4.02 -2.45 -0.07 -1.58 119.30 120.29 3dx8 s MET 5 Ca -0.02 -0.63 0.03 0.00 -1.25 0.00 0.00 55.69 53.82 3dx8 s MET 5 Cb -0.08 -1.86 -0.01 0.00 1.25 0.00 0.00 34.83 34.13 3dx8 s MET 5 CO 0.01 0.07 -0.09 1.03 1.05 0.00 0.00 175.02 177.09 3dx8 s ARG 6 N 0.59 0.69 -0.09 4.11 1.81 -0.69 -1.83 118.95 123.53 3dx8 s ARG 6 Ca -0.15 -0.46 -0.00 0.00 -1.72 0.00 0.00 55.73 53.40 3dx8 s ARG 6 Cb -0.17 -0.64 -0.03 0.00 -0.45 0.00 0.00 34.95 33.67 3dx8 s ARG 6 CO 0.05 0.17 -0.07 0.71 -0.68 0.00 0.00 175.30 175.47 3dx8 s TYR 7 N -0.52 2.93 -0.15 -0.53 1.51 -0.09 -0.69 117.35 119.81 3dx8 s TYR 7 Ca 0.01 -0.14 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 3dx8 s TYR 7 Cb -0.05 -1.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.04 3dx8 s TYR 7 CO 0.00 0.18 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.36 3dx8 s PHE 8 N -0.42 2.62 -0.08 2.71 0.40 0.67 -1.90 117.98 121.98 3dx8 s PHE 8 Ca 0.06 -1.43 -0.03 0.00 -0.60 0.00 0.00 56.93 54.93 3dx8 s PHE 8 Cb -0.12 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 3dx8 s PHE 8 CO 0.02 -0.69 0.03 0.71 0.70 0.00 0.00 175.22 176.00 3dx8 s TYR 9 N 1.07 3.25 -0.06 0.36 1.51 0.81 -1.39 117.35 122.89 3dx8 s TYR 9 Ca -0.01 0.25 0.02 0.00 -1.01 0.00 0.00 57.07 56.32 3dx8 s TYR 9 Cb -0.14 -1.81 0.01 0.00 -0.11 0.00 0.00 41.96 39.91 3dx8 s TYR 9 CO -0.07 0.52 -0.12 0.99 -1.11 0.00 0.00 175.55 175.77 3dx8 s THR 10 N -0.94 1.09 -0.16 -0.71 2.01 -0.04 -1.62 115.64 115.27 3dx8 s THR 10 Ca 0.14 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3dx8 s THR 10 Cb -0.11 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.42 3dx8 s THR 10 CO 0.04 0.35 -0.14 0.00 -0.69 0.00 0.00 174.62 174.17 3dx8 s ALA 11 N 0.67 1.92 -0.13 7.40 0.00 0.45 -0.86 121.76 131.21 3dx8 s ALA 11 Ca -0.14 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 50.83 3dx8 s ALA 11 Cb -0.16 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 21.89 3dx8 s ALA 11 CO 0.03 -0.45 -0.07 1.41 0.00 0.00 0.00 175.76 176.68 3dx8 s MET 12 N 1.46 1.51 0.61 0.00 1.75 -0.70 -0.34 119.30 123.59 3dx8 s MET 12 Ca 0.04 -0.32 -0.13 0.00 -1.25 0.00 0.00 55.69 54.03 3dx8 s MET 12 Cb -0.13 -1.69 -0.04 0.00 2.84 0.00 0.00 34.83 35.81 3dx8 s MET 12 CO -0.10 -0.30 1.03 -1.54 -0.65 0.00 0.00 175.02 173.45 3dx8 s SER 13 N 1.69 5.99 -0.47 1.11 1.04 0.21 -1.70 113.70 121.56 3dx8 s SER 13 Ca 0.04 1.61 0.06 0.00 0.48 0.00 0.00 55.95 58.14 3dx8 s SER 13 Cb -0.13 -2.50 0.24 0.00 0.10 0.00 0.00 66.02 63.73 3dx8 s SER 13 CO -0.08 -1.03 0.82 -2.11 0.98 0.00 0.00 173.24 171.82 3dx8 n ARG 14 N -2.39 0.76 -1.64 4.02 1.85 -1.26 -4.00 116.66 114.01 3dx8 n ARG 14 Ca 0.07 -2.01 -0.47 0.00 -1.00 0.00 0.00 57.85 54.45 3dx8 n ARG 14 Cb 0.54 -1.42 -0.04 0.00 -1.05 0.00 0.00 32.46 30.49 3dx8 n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3dx8 n PRO 15 N 1.63 1.71 -0.25 2.89 -0.02 -1.26 -0.89 135.00 138.81 3dx8 n PRO 15 Ca 0.11 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3dx8 n PRO 15 Cb 0.61 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3dx8 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dx8 n GLY 16 N 2.33 1.28 1.82 -1.23 0.00 -1.26 -4.88 105.19 103.25 3dx8 n GLY 16 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3dx8 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dx8 n ARG 17 N -2.00 1.14 0.00 1.61 1.74 -0.07 -5.12 116.66 113.96 3dx8 n ARG 17 Ca 0.00 -2.88 0.00 0.00 -0.77 0.00 0.00 57.85 54.20 3dx8 n ARG 17 Cb 0.00 -0.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 3dx8 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dx8 n GLY 18 N -0.20 -1.79 3.91 -0.13 0.00 -1.25 -4.92 105.19 100.81 3dx8 n GLY 18 Ca 0.12 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 3dx8 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dx8 s GLU 19 N 0.00 3.41 0.31 1.61 0.41 -1.26 -4.61 118.70 118.56 3dx8 s GLU 19 Ca 0.00 0.20 -0.30 0.00 -0.41 0.00 0.00 54.97 54.46 3dx8 s GLU 19 Cb 0.00 -2.33 -0.12 0.00 -1.78 0.00 0.00 34.13 29.90 3dx8 s GLU 19 CO 0.00 -0.35 1.52 -2.30 -0.49 0.00 0.00 175.26 173.65 3dx8 n PRO 20 N -2.38 2.56 -2.76 0.39 -0.02 -1.26 -4.79 135.00 126.74 3dx8 n PRO 20 Ca 0.02 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.99 3dx8 n PRO 20 Cb 0.56 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 3dx8 n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3dx8 s ARG 21 N -0.92 4.54 -0.21 -0.52 3.52 -0.69 -4.84 118.95 119.84 3dx8 s ARG 21 Ca 0.62 1.34 -0.03 0.00 -0.13 0.00 0.00 55.73 57.52 3dx8 s ARG 21 Cb -0.52 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.41 3dx8 s ARG 21 CO 0.53 -0.03 -0.06 0.12 -0.81 0.00 0.00 175.30 175.05 3dx8 s PHE 22 N 0.95 2.94 -0.03 5.12 5.36 -1.26 -1.73 117.98 129.33 3dx8 s PHE 22 Ca 0.50 -0.92 0.07 0.00 -0.96 0.00 0.00 56.93 55.61 3dx8 s PHE 22 Cb -0.21 -2.07 -0.02 0.00 -0.34 0.00 0.00 43.02 40.39 3dx8 s PHE 22 CO 0.27 -0.51 -0.25 0.42 -1.46 0.00 0.00 175.22 173.68 3dx8 s ILE 23 N 1.33 2.00 -0.07 3.12 1.01 -0.04 -1.06 121.20 127.50 3dx8 s ILE 23 Ca 0.04 -1.07 0.04 0.00 0.00 0.00 0.00 60.65 59.67 3dx8 s ILE 23 Cb -0.14 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 3dx8 s ILE 23 CO -0.03 0.56 -0.20 -0.89 0.00 0.00 0.00 174.94 174.38 3dx8 s THR 24 N -0.42 1.72 0.02 2.92 2.01 -0.61 -0.87 115.64 120.42 3dx8 s THR 24 Ca 0.04 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 61.27 3dx8 s THR 24 Cb -0.11 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 3dx8 s THR 24 CO 0.01 0.49 -0.23 0.68 -0.69 0.00 0.00 174.62 174.87 3dx8 s VAL 25 N 0.20 1.84 -0.06 3.82 -7.23 -0.49 -0.24 120.40 118.24 3dx8 s VAL 25 Ca -0.11 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 58.94 3dx8 s VAL 25 Cb -0.15 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 3dx8 s VAL 25 CO 0.05 0.37 -0.19 -0.83 -0.31 0.00 0.00 175.10 174.19 3dx8 s GLY 26 N -0.94 1.43 0.05 2.32 0.00 -0.35 -0.24 107.32 109.59 3dx8 s GLY 26 Ca 0.09 -1.00 0.07 0.00 0.00 0.00 0.00 44.72 43.88 3dx8 s GLY 26 CO 0.01 -0.64 -0.19 -0.19 0.00 0.00 0.00 173.10 172.09 3dx8 s TYR 27 N -0.33 1.70 -0.19 1.90 1.51 0.14 -0.78 117.35 121.29 3dx8 s TYR 27 Ca 0.02 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.69 3dx8 s TYR 27 Cb -0.13 -1.00 -0.00 0.00 -0.11 0.00 0.00 41.96 40.72 3dx8 s TYR 27 CO 0.02 0.09 -0.10 0.08 -1.11 0.00 0.00 175.55 174.53 3dx8 s VAL 28 N -0.86 2.92 0.00 0.71 1.01 -0.07 -1.71 120.40 122.41 3dx8 s VAL 28 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3dx8 s VAL 28 Cb -0.09 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3dx8 s VAL 28 CO 0.02 0.47 0.00 0.47 0.00 0.00 0.00 175.10 176.06 3dx8 n ASP 29 N 4.52 0.00 -1.89 3.32 8.00 -0.61 -0.80 116.55 129.10 3dx8 n ASP 29 Ca -0.19 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.23 3dx8 n ASP 29 Cb 0.51 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.85 3dx8 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dx8 n ASP 30 N 3.52 4.30 -4.22 -2.24 8.00 -1.26 -4.86 116.55 119.79 3dx8 n ASP 30 Ca 0.00 -3.11 -0.34 0.00 0.71 0.00 0.00 54.79 52.05 3dx8 n ASP 30 Cb 0.00 -0.73 -0.14 0.00 -0.02 0.00 0.00 41.12 40.22 3dx8 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dx8 s THR 31 N -2.67 2.92 0.12 -3.53 2.01 0.02 -5.03 115.64 109.48 3dx8 s THR 31 Ca 0.48 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 3dx8 s THR 31 Cb 0.39 -2.40 -0.07 0.00 0.01 0.00 0.00 72.50 70.43 3dx8 s THR 31 CO 0.11 0.32 1.24 -0.22 -0.69 0.00 0.00 174.62 175.38 3dx8 s LEU 32 N 1.37 4.40 0.00 4.42 2.96 -1.26 -0.89 118.68 129.68 3dx8 s LEU 32 Ca 0.03 2.17 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 3dx8 s LEU 32 Cb -0.15 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 3dx8 s LEU 32 CO -0.05 -0.47 0.00 2.22 -1.32 0.00 0.00 176.35 176.73 3dx8 n PHE 33 N 3.33 0.00 -3.63 5.38 1.16 0.04 -4.17 117.46 119.57 3dx8 n PHE 33 Ca 0.08 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.50 3dx8 n PHE 33 Cb 0.45 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.24 3dx8 n PHE 33 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3dx8 s VAL 34 N -0.71 0.01 -0.01 1.97 0.11 -1.21 -0.91 120.40 119.66 3dx8 s VAL 34 Ca 0.00 -0.11 -0.05 0.00 -2.93 0.00 0.00 61.98 58.89 3dx8 s VAL 34 Cb 0.00 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 3dx8 s VAL 34 CO 0.00 -0.06 0.11 -0.60 -3.33 0.00 0.00 175.10 171.22 3dx8 s ARG 35 N -0.70 0.36 -0.02 1.54 3.52 -0.59 -1.21 118.95 121.84 3dx8 s ARG 35 Ca -0.08 -0.25 0.03 0.00 -0.13 0.00 0.00 55.73 55.30 3dx8 s ARG 35 Cb -0.03 0.15 -0.00 0.00 -1.56 0.00 0.00 34.95 33.51 3dx8 s ARG 35 CO 0.05 -0.08 -0.11 0.12 -0.81 0.00 0.00 175.30 174.48 3dx8 s PHE 36 N -0.95 1.10 -0.08 5.12 5.36 0.66 -0.21 117.98 128.99 3dx8 s PHE 36 Ca -0.10 -0.25 -0.03 0.00 -0.96 0.00 0.00 56.93 55.59 3dx8 s PHE 36 Cb -0.06 -0.74 0.04 0.00 -0.34 0.00 0.00 43.02 41.92 3dx8 s PHE 36 CO 0.01 -0.07 0.10 0.34 -1.46 0.00 0.00 175.22 174.14 3dx8 s ASP 37 N -0.07 1.25 0.59 6.13 -1.08 -1.26 -1.57 116.67 120.66 3dx8 s ASP 37 Ca 0.01 0.02 0.37 0.00 -0.52 0.00 0.00 52.55 52.43 3dx8 s ASP 37 Cb -0.07 -0.03 1.78 0.00 -1.46 0.00 0.00 42.92 43.15 3dx8 s ASP 37 CO 0.00 -0.27 2.14 0.77 0.52 0.00 0.00 175.17 178.33 3dx8 h SER 38 N 8.41 0.00 0.80 -0.34 4.64 -1.48 -1.28 113.55 124.31 3dx8 h SER 38 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3dx8 h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3dx8 h SER 38 CO 0.18 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.62 3dx8 n ASP 39 N -3.13 0.00 -4.73 4.97 9.92 -1.26 -4.83 116.55 117.49 3dx8 n ASP 39 Ca -0.01 0.32 -0.36 0.00 -0.53 0.00 0.00 54.79 54.21 3dx8 n ASP 39 Cb 0.21 -0.44 0.07 0.00 -0.64 0.00 0.00 41.12 40.32 3dx8 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dx8 s ALA 40 N -2.87 2.33 0.15 2.24 0.00 -0.48 -4.93 121.76 118.20 3dx8 s ALA 40 Ca 0.17 1.04 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 3dx8 s ALA 40 Cb 0.18 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3dx8 s ALA 40 CO 0.47 -1.57 1.78 1.15 0.00 0.00 0.00 175.76 177.59 3dx8 h THR 41 N 0.34 1.01 -3.31 0.00 2.02 -1.91 -3.21 112.91 107.85 3dx8 h THR 41 Ca -0.50 -0.13 -0.64 0.00 0.77 0.00 0.00 66.41 65.91 3dx8 h THR 41 Cb 1.31 0.60 -0.40 0.00 -1.74 0.00 0.00 68.15 67.92 3dx8 h THR 41 CO 0.52 0.07 -0.55 -0.55 0.37 0.00 0.00 175.52 175.38 3dx8 s SER 42 N -5.44 4.66 -0.02 4.18 0.15 -1.26 -5.08 113.70 110.90 3dx8 s SER 42 Ca -0.13 -3.29 -0.31 0.00 0.70 0.00 0.00 55.95 52.92 3dx8 s SER 42 Cb 0.11 -1.68 -0.09 0.00 -1.71 0.00 0.00 66.02 62.65 3dx8 s SER 42 CO 0.71 -0.20 1.99 -0.81 1.20 0.00 0.00 173.24 176.13 3dx8 n PRO 43 N 2.76 2.64 -3.70 5.44 -0.04 -1.22 -4.95 135.00 135.94 3dx8 n PRO 43 Ca 0.11 0.95 -0.12 0.00 -0.04 0.00 0.00 63.50 64.40 3dx8 n PRO 43 Cb 0.34 -2.97 -0.06 0.00 -0.04 0.00 0.00 33.50 30.77 3dx8 n PRO 43 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3dx8 s ARG 44 N 4.62 0.90 0.09 0.54 1.70 -1.26 -5.01 118.95 120.53 3dx8 s ARG 44 Ca 0.91 -0.47 -0.31 0.00 -0.47 0.00 0.00 55.73 55.39 3dx8 s ARG 44 Cb -0.47 0.40 -0.09 0.00 -0.57 0.00 0.00 34.95 34.21 3dx8 s ARG 44 CO 0.43 -0.31 1.63 0.15 -1.08 0.00 0.00 175.30 176.13 3dx8 s LYS 45 N -2.70 4.20 -0.03 3.89 -0.14 -1.26 -4.41 119.74 119.29 3dx8 s LYS 45 Ca -0.04 2.34 0.06 0.00 -1.36 0.00 0.00 55.97 56.97 3dx8 s LYS 45 Cb -0.00 -3.50 -0.02 0.00 -1.68 0.00 0.00 37.83 32.63 3dx8 s LYS 45 CO -0.04 -0.70 -0.22 -1.21 -0.76 0.00 0.00 175.35 172.41 3dx8 s GLU 46 N 2.30 2.28 0.35 1.68 2.02 0.71 -4.93 118.70 123.10 3dx8 s GLU 46 Ca 0.73 -0.85 -0.28 0.00 0.02 0.00 0.00 54.97 54.59 3dx8 s GLU 46 Cb -0.41 -2.16 -0.09 0.00 0.10 0.00 0.00 34.13 31.57 3dx8 s GLU 46 CO 0.32 0.56 1.23 -1.25 0.02 0.00 0.00 175.26 176.14 3dx8 s PRO 47 N -0.61 4.30 0.00 0.39 0.04 -1.26 -1.55 135.00 136.31 3dx8 s PRO 47 Ca 0.09 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.16 3dx8 s PRO 47 Cb -0.11 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.47 3dx8 s PRO 47 CO -0.00 -0.17 0.50 0.54 0.04 0.00 0.00 177.00 177.91 3dx8 n ARG 48 N 0.63 0.53 -4.00 4.56 5.12 -0.08 -4.89 116.66 118.52 3dx8 n ARG 48 Ca 0.01 -0.62 -0.10 0.00 -1.93 0.00 0.00 57.85 55.21 3dx8 n ARG 48 Cb 0.44 -0.73 -0.11 0.00 -1.16 0.00 0.00 32.46 30.90 3dx8 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dx8 s ALA 49 N -0.25 0.24 0.23 7.54 0.00 -1.24 -4.65 121.76 123.63 3dx8 s ALA 49 Ca 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 3dx8 s ALA 49 Cb 0.00 0.13 0.25 0.00 0.00 0.00 0.00 23.12 23.50 3dx8 s ALA 49 CO 0.00 -0.13 1.87 -1.35 0.00 0.00 0.00 175.76 176.14 3dx8 h PRO 50 N 4.57 0.97 0.00 0.00 0.11 -1.95 -2.94 132.00 132.76 3dx8 h PRO 50 Ca -0.33 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3dx8 h PRO 50 Cb 1.21 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3dx8 h PRO 50 CO 0.42 0.64 0.00 0.11 -0.21 0.00 0.00 178.00 178.96 3dx8 h TRP 51 N 1.00 0.00 0.00 0.65 5.08 -1.98 -2.24 115.95 118.46 3dx8 h TRP 51 Ca 0.33 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.26 3dx8 h TRP 51 Cb 0.04 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.19 3dx8 h TRP 51 CO -0.03 0.00 -0.51 0.97 -1.28 0.00 0.00 178.44 177.59 3dx8 h ILE 52 N 0.00 0.24 -0.10 0.12 6.09 -1.86 -3.36 117.51 118.64 3dx8 h ILE 52 Ca 0.00 -1.37 0.03 0.00 -1.37 0.00 0.00 64.86 62.15 3dx8 h ILE 52 Cb 0.30 1.97 -0.00 0.00 0.47 0.00 0.00 36.82 39.55 3dx8 h ILE 52 CO 0.00 0.14 0.07 -0.33 -3.07 0.00 0.00 178.15 174.96 3dx8 h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.49 -1.65 114.58 118.71 3dx8 h GLU 53 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dx8 h GLU 53 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3dx8 h GLU 53 CO 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 3dx8 n GLN 54 N -4.38 0.88 -2.36 2.33 10.64 -1.26 -4.75 117.38 118.48 3dx8 n GLN 54 Ca -0.01 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.78 3dx8 n GLN 54 Cb 0.19 -1.36 -0.03 0.00 -0.86 0.00 0.00 30.24 28.18 3dx8 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3dx8 s GLU 55 N -2.00 4.11 0.93 2.61 0.41 -0.62 -5.02 118.70 119.11 3dx8 s GLU 55 Ca 0.31 1.76 -0.14 0.00 -0.41 0.00 0.00 54.97 56.49 3dx8 s GLU 55 Cb 0.14 -2.67 0.16 0.00 -1.78 0.00 0.00 34.13 29.98 3dx8 s GLU 55 CO 0.24 -0.25 1.23 0.20 -0.49 0.00 0.00 175.26 176.19 3dx8 s GLY 56 N -1.22 1.67 0.26 -1.39 0.00 -1.26 -4.88 107.32 100.51 3dx8 s GLY 56 Ca 0.57 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 44.38 3dx8 s GLY 56 CO 0.36 -0.24 1.83 -2.55 0.00 0.00 0.00 173.10 172.51 3dx8 h PRO 57 N -1.51 0.91 -0.86 2.90 0.11 -1.96 -2.40 132.00 129.18 3dx8 h PRO 57 Ca -0.46 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.66 3dx8 h PRO 57 Cb 1.29 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 3dx8 h PRO 57 CO 0.51 0.60 0.53 1.05 -0.21 0.00 0.00 178.00 180.48 3dx8 h GLU 58 N 0.93 0.94 0.05 1.05 -0.00 -1.99 -1.30 114.58 114.27 3dx8 h GLU 58 Ca 0.45 -0.06 0.03 0.00 -0.00 0.00 0.00 59.36 59.78 3dx8 h GLU 58 Cb 0.40 -0.21 -0.05 0.00 -0.00 0.00 0.00 28.75 28.89 3dx8 h GLU 58 CO -0.25 0.62 -0.34 -0.92 -0.00 0.00 0.00 179.01 178.13 3dx8 h TYR 59 N 0.97 -0.93 -0.19 2.06 3.20 -1.79 -0.46 116.97 119.84 3dx8 h TYR 59 Ca 0.38 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.21 3dx8 h TYR 59 Cb 0.17 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3dx8 h TYR 59 CO -0.03 -0.43 -0.18 -1.49 -1.64 0.00 0.00 178.16 174.39 3dx8 h TRP 60 N -0.52 0.34 0.08 -3.82 4.06 -1.34 0.29 115.95 115.04 3dx8 h TRP 60 Ca 0.05 -0.05 -0.28 0.00 2.06 0.00 0.00 58.89 60.67 3dx8 h TRP 60 Cb 0.58 -0.09 0.02 0.00 -1.00 0.00 0.00 29.16 28.67 3dx8 h TRP 60 CO -0.33 0.48 -1.16 -0.44 -3.56 0.00 0.00 178.44 173.43 3dx8 h ASP 61 N 0.29 0.73 -0.35 -3.49 3.32 -1.17 -1.95 116.42 113.80 3dx8 h ASP 61 Ca 0.05 -0.66 -0.08 0.00 0.02 0.00 0.00 57.03 56.37 3dx8 h ASP 61 Cb 0.49 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3dx8 h ASP 61 CO 0.03 1.47 -0.09 -0.09 -1.72 0.00 0.00 179.24 178.85 3dx8 h ARG 62 N 0.24 0.68 -0.36 3.56 2.43 -0.80 -1.97 114.38 118.16 3dx8 h ARG 62 Ca -0.15 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 3dx8 h ARG 62 Cb 1.83 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.32 3dx8 h ARG 62 CO 0.21 0.85 0.20 0.93 -1.51 0.00 0.00 179.97 180.64 3dx8 h GLU 63 N 0.47 0.51 -0.67 0.20 4.39 -1.02 -2.08 114.58 116.39 3dx8 h GLU 63 Ca 0.09 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3dx8 h GLU 63 Cb 0.59 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 3dx8 h GLU 63 CO 0.04 0.43 0.36 1.15 -1.16 0.00 0.00 179.01 179.83 3dx8 h THR 64 N 0.46 1.21 -0.70 1.13 2.02 -1.37 -2.60 112.91 113.06 3dx8 h THR 64 Ca 0.13 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3dx8 h THR 64 Cb 0.07 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 3dx8 h THR 64 CO -0.02 0.23 0.35 -0.61 0.37 0.00 0.00 175.52 175.84 3dx8 h GLN 65 N 0.91 1.01 -0.20 6.66 5.75 -1.15 -0.38 115.11 127.71 3dx8 h GLN 65 Ca 0.23 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.65 3dx8 h GLN 65 Cb 0.04 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 28.35 3dx8 h GLN 65 CO -0.04 0.79 -0.18 0.82 -2.65 0.00 0.00 178.83 177.57 3dx8 h ILE 66 N 0.98 0.52 -0.42 2.39 2.04 -1.14 -0.08 117.51 121.80 3dx8 h ILE 66 Ca 0.24 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.00 3dx8 h ILE 66 Cb 0.10 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3dx8 h ILE 66 CO -0.03 0.00 -0.15 0.28 0.00 0.00 0.00 178.15 178.24 3dx8 h SER 67 N -0.19 0.77 -0.55 1.72 0.02 -1.23 0.44 113.55 114.53 3dx8 h SER 67 Ca 0.12 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 3dx8 h SER 67 Cb 0.37 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3dx8 h SER 67 CO -0.31 0.93 0.21 0.11 -1.14 0.00 0.00 176.83 176.63 3dx8 h LYS 68 N 0.69 0.83 -0.51 3.45 1.57 -0.84 0.02 116.57 121.79 3dx8 h LYS 68 Ca 0.11 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3dx8 h LYS 68 Cb 0.65 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3dx8 h LYS 68 CO 0.05 0.74 0.21 1.15 -0.57 0.00 0.00 179.45 181.02 3dx8 h THR 69 N 0.76 1.21 -0.32 -0.16 2.02 -0.86 -3.05 112.91 112.50 3dx8 h THR 69 Ca 0.18 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 3dx8 h THR 69 Cb 0.22 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3dx8 h THR 69 CO -0.01 0.25 0.08 0.78 0.37 0.00 0.00 175.52 176.99 3dx8 h ASN 70 N 0.69 0.42 -0.58 4.18 -0.26 -0.66 -1.07 115.58 118.29 3dx8 h ASN 70 Ca 0.17 -0.05 0.07 0.00 -0.56 0.00 0.00 56.30 55.94 3dx8 h ASN 70 Cb 0.19 -0.11 -0.06 0.00 -1.06 0.00 0.00 38.32 37.28 3dx8 h ASN 70 CO -0.02 0.42 0.25 0.74 -1.06 0.00 0.00 177.43 177.77 3dx8 h THR 71 N 0.46 0.85 -0.14 2.81 2.02 -0.88 0.25 112.91 118.28 3dx8 h THR 71 Ca 0.11 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 3dx8 h THR 71 Cb 0.17 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3dx8 h THR 71 CO -0.00 0.08 -0.27 1.56 0.37 0.00 0.00 175.52 177.26 3dx8 h GLN 72 N 0.47 0.42 -0.67 6.66 1.08 -1.47 -2.66 115.11 118.94 3dx8 h GLN 72 Ca 0.28 -0.27 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 3dx8 h GLN 72 Cb 0.28 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.70 3dx8 h GLN 72 CO -0.25 0.87 0.40 1.15 -0.95 0.00 0.00 178.83 180.06 3dx8 h THR 73 N 0.03 1.06 0.00 -0.54 2.02 -1.06 -2.46 112.91 111.95 3dx8 h THR 73 Ca 0.01 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.80 3dx8 h THR 73 Cb 0.86 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3dx8 h THR 73 CO 0.06 0.14 -0.55 1.88 0.37 0.00 0.00 175.52 177.43 3dx8 h TYR 74 N 0.78 0.00 -0.60 3.16 -1.99 -0.98 0.10 116.97 117.44 3dx8 h TYR 74 Ca 0.28 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.98 3dx8 h TYR 74 Cb 0.06 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 3dx8 h TYR 74 CO -0.05 0.55 0.29 0.00 -0.00 0.00 0.00 178.16 178.94 3dx8 h ARG 75 N 0.00 0.87 -0.51 4.88 3.08 -1.33 -0.86 114.38 120.50 3dx8 h ARG 75 Ca -0.01 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 3dx8 h ARG 75 Cb 1.13 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 3dx8 h ARG 75 CO 0.07 0.71 0.14 1.49 -1.07 0.00 0.00 179.97 181.30 3dx8 h GLU 76 N 0.83 0.81 -0.98 0.04 4.81 -1.07 -2.49 114.58 116.52 3dx8 h GLU 76 Ca 0.21 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3dx8 h GLU 76 Cb 0.12 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 3dx8 h GLU 76 CO -0.03 0.77 0.64 -0.91 -0.73 0.00 0.00 179.01 178.76 3dx8 h ASN 77 N 0.71 1.06 -0.33 1.04 -0.26 -0.60 -0.16 115.58 117.03 3dx8 h ASN 77 Ca 0.16 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.84 3dx8 h ASN 77 Cb 0.31 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 3dx8 h ASN 77 CO -0.00 0.72 0.01 -0.07 -1.06 0.00 0.00 177.43 177.03 3dx8 h LEU 78 N 1.23 0.57 -0.59 1.61 3.38 -1.00 -0.19 115.31 120.31 3dx8 h LEU 78 Ca 0.40 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3dx8 h LEU 78 Cb 0.03 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3dx8 h LEU 78 CO -0.13 0.73 0.28 0.03 0.09 0.00 0.00 178.44 179.45 3dx8 h ARG 79 N 0.39 0.50 -0.49 1.13 3.08 -1.08 -2.35 114.38 115.55 3dx8 h ARG 79 Ca 0.10 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3dx8 h ARG 79 Cb 0.44 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3dx8 h ARG 79 CO 0.02 0.33 0.19 1.15 -1.07 0.00 0.00 179.97 180.59 3dx8 h THR 80 N 0.52 1.21 -0.46 2.04 2.02 -0.81 -2.91 112.91 114.53 3dx8 h THR 80 Ca 0.28 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3dx8 h THR 80 Cb 0.24 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3dx8 h THR 80 CO -0.22 0.25 0.24 0.00 0.37 0.00 0.00 175.52 176.16 3dx8 h ALA 81 N 1.04 1.56 -0.52 6.16 0.00 -0.75 -1.55 119.26 125.20 3dx8 h ALA 81 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3dx8 h ALA 81 Cb 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3dx8 h ALA 81 CO -0.01 0.36 0.29 -0.07 0.00 0.00 0.00 179.25 179.82 3dx8 h LEU 82 N 0.63 0.45 -0.59 0.00 3.38 -1.23 -2.06 115.31 115.89 3dx8 h LEU 82 Ca 0.16 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3dx8 h LEU 82 Cb 0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3dx8 h LEU 82 CO -0.03 0.32 0.12 0.03 0.09 0.00 0.00 178.44 178.97 3dx8 h ARG 83 N 0.58 0.96 -0.04 1.13 3.08 -1.34 0.14 114.38 118.88 3dx8 h ARG 83 Ca 0.22 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3dx8 h ARG 83 Cb 0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3dx8 h ARG 83 CO -0.12 0.90 -0.18 1.88 -1.07 0.00 0.00 179.97 181.38 3dx8 h TYR 84 N 0.87 0.07 -0.44 3.04 0.05 -1.07 -2.76 116.97 116.73 3dx8 h TYR 84 Ca 0.18 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3dx8 h TYR 84 Cb 0.38 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.10 3dx8 h TYR 84 CO 0.03 0.25 0.00 0.66 -1.05 0.00 0.00 178.16 178.05 3dx8 n TYR 85 N -4.29 0.67 -3.71 4.88 4.02 -0.80 -4.80 117.16 113.13 3dx8 n TYR 85 Ca -0.02 -0.54 -0.25 0.00 -0.01 0.00 0.00 57.90 57.08 3dx8 n TYR 85 Cb 0.26 -0.06 0.06 0.00 -0.02 0.00 0.00 39.34 39.58 3dx8 n TYR 85 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3dx8 n ASN 86 N 0.70 -4.85 -4.86 7.72 3.02 -0.17 -4.97 115.26 111.84 3dx8 n ASN 86 Ca 0.16 -0.66 -0.31 0.00 -0.03 0.00 0.00 54.58 53.74 3dx8 n ASN 86 Cb 0.53 -4.53 -0.05 0.00 -0.61 0.00 0.00 39.78 35.12 3dx8 n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3dx8 s GLN 87 N -6.30 3.21 0.67 3.52 -0.21 0.30 -5.03 119.66 115.82 3dx8 s GLN 87 Ca 0.50 -0.55 -0.11 0.00 0.02 0.00 0.00 55.36 55.22 3dx8 s GLN 87 Cb -0.23 -2.91 -0.00 0.00 1.00 0.00 0.00 33.01 30.86 3dx8 s GLN 87 CO 0.78 0.59 1.07 -1.54 -2.12 0.00 0.00 175.29 174.06 3dx8 s SER 88 N -2.49 5.71 0.00 5.90 1.04 -1.26 -4.68 113.70 117.92 3dx8 s SER 88 Ca 0.33 1.22 0.08 0.00 0.48 0.00 0.00 55.95 58.05 3dx8 s SER 88 Cb -0.13 -2.10 0.43 0.00 0.10 0.00 0.00 66.02 64.32 3dx8 s SER 88 CO 0.26 -1.18 1.28 -0.62 0.98 0.00 0.00 173.24 173.96 3dx8 n GLU 89 N -2.91 1.10 0.01 4.02 1.02 -1.26 -3.85 120.64 118.77 3dx8 n GLU 89 Ca 0.07 -0.16 0.11 0.00 -0.02 0.00 0.00 57.16 57.15 3dx8 n GLU 89 Cb 0.56 -1.14 -0.06 0.00 -0.02 0.00 0.00 31.44 30.78 3dx8 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dx8 n ALA 90 N -0.47 3.93 -2.77 0.62 0.00 -1.26 -4.79 120.51 115.76 3dx8 n ALA 90 Ca 0.06 -0.51 -0.25 0.00 0.00 0.00 0.00 53.44 52.75 3dx8 n ALA 90 Cb 0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 3dx8 n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dx8 s GLY 91 N -3.46 1.49 -0.08 0.00 0.00 -1.25 -4.75 107.32 99.26 3dx8 s GLY 91 Ca 0.04 -0.95 -0.15 0.00 0.00 0.00 0.00 44.72 43.66 3dx8 s GLY 91 CO 0.84 -0.92 0.39 -0.45 0.00 0.00 0.00 173.10 172.97 3dx8 s SER 92 N -3.68 6.67 0.12 1.64 0.15 -1.26 -4.58 113.70 112.75 3dx8 s SER 92 Ca 0.38 0.79 0.01 0.00 0.70 0.00 0.00 55.95 57.83 3dx8 s SER 92 Cb -0.10 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 3dx8 s SER 92 CO 0.32 0.17 -0.01 -1.00 1.20 0.00 0.00 173.24 173.92 3dx8 s HIS 93 N -0.18 0.89 -0.04 3.44 3.76 -1.26 -4.95 115.29 116.95 3dx8 s HIS 93 Ca 0.22 -1.05 0.01 0.00 -0.15 0.00 0.00 55.06 54.09 3dx8 s HIS 93 Cb -0.15 -0.53 0.02 0.00 1.11 0.00 0.00 32.58 33.03 3dx8 s HIS 93 CO 0.10 -0.30 -0.03 0.42 -0.85 0.00 0.00 174.74 174.08 3dx8 s ILE 94 N -3.79 0.41 -0.17 0.60 1.01 -1.26 -0.62 121.20 117.38 3dx8 s ILE 94 Ca 0.17 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.72 3dx8 s ILE 94 Cb 0.07 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 3dx8 s ILE 94 CO -0.02 0.20 0.02 -0.63 0.00 0.00 0.00 174.94 174.51 3dx8 s ILE 95 N 1.02 4.40 0.05 2.92 1.01 0.54 -0.59 121.20 130.55 3dx8 s ILE 95 Ca -0.10 -0.17 0.08 0.00 0.00 0.00 0.00 60.65 60.46 3dx8 s ILE 95 Cb -0.14 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3dx8 s ILE 95 CO -0.01 0.48 -0.19 -1.10 0.00 0.00 0.00 174.94 174.12 3dx8 s GLN 96 N 0.36 1.98 -0.01 2.79 -0.21 -0.71 -0.41 119.66 123.45 3dx8 s GLN 96 Ca -0.00 -1.03 0.02 0.00 0.02 0.00 0.00 55.36 54.37 3dx8 s GLN 96 Cb -0.13 -2.15 -0.00 0.00 1.00 0.00 0.00 33.01 31.73 3dx8 s GLN 96 CO 0.01 0.53 -0.06 0.50 -2.12 0.00 0.00 175.29 174.15 3dx8 s ARG 97 N -1.52 0.57 -0.05 2.91 3.52 -0.64 -0.84 118.95 122.89 3dx8 s ARG 97 Ca 0.15 -0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.53 3dx8 s ARG 97 Cb -0.10 -0.56 0.02 0.00 -1.56 0.00 0.00 34.95 32.75 3dx8 s ARG 97 CO 0.06 0.12 -0.06 0.00 -0.81 0.00 0.00 175.30 174.60 3dx8 s MET 98 N -0.05 1.07 0.08 5.12 0.23 -0.41 -0.14 119.30 125.20 3dx8 s MET 98 Ca 0.01 -0.18 -0.08 0.00 -1.03 0.00 0.00 55.69 54.41 3dx8 s MET 98 Cb -0.04 -1.02 -0.01 0.00 -1.53 0.00 0.00 34.83 32.24 3dx8 s MET 98 CO -0.00 -0.07 0.16 1.52 -2.03 0.00 0.00 175.02 174.60 3dx8 s TYR 99 N 0.93 0.18 -5.00 3.16 -0.85 -0.80 -0.99 117.35 113.98 3dx8 s TYR 99 Ca -0.11 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 55.85 3dx8 s TYR 99 Cb -0.15 -0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.10 3dx8 s TYR 99 CO 0.00 -0.50 0.00 0.41 -1.52 0.00 0.00 175.55 173.94 3dx8 n GLY 100 N 0.10 -0.25 3.07 5.49 0.00 -0.82 -0.91 105.19 111.87 3dx8 n GLY 100 Ca -0.16 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 3dx8 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dx8 s ASP 102 N -1.42 5.26 0.11 0.00 1.01 0.48 -0.89 116.67 121.24 3dx8 s ASP 102 Ca -0.07 0.12 0.07 0.00 0.71 0.00 0.00 52.55 53.37 3dx8 s ASP 102 Cb -0.09 -1.59 -0.04 0.00 1.01 0.00 0.00 42.92 42.22 3dx8 s ASP 102 CO 0.01 0.33 -0.17 0.68 0.21 0.00 0.00 175.17 176.23 3dx8 s VAL 103 N -0.60 1.51 0.71 -1.27 -7.23 0.13 0.12 120.40 113.77 3dx8 s VAL 103 Ca 0.10 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 3dx8 s VAL 103 Cb -0.12 -1.50 0.13 0.00 0.56 0.00 0.00 36.38 35.45 3dx8 s VAL 103 CO 0.02 -0.23 0.98 -0.83 -0.31 0.00 0.00 175.10 174.73 3dx8 s GLY 104 N -2.15 1.75 0.42 2.32 0.00 -0.70 -0.94 107.32 108.02 3dx8 s GLY 104 Ca 0.07 -1.84 0.22 0.00 0.00 0.00 0.00 44.72 43.17 3dx8 s GLY 104 CO 0.04 -1.27 1.76 -2.55 0.00 0.00 0.00 173.10 171.09 3dx8 h PRO 105 N -0.46 0.30 -0.02 2.90 0.11 -1.85 0.34 132.00 133.32 3dx8 h PRO 105 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3dx8 h PRO 105 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dx8 h PRO 105 CO 0.39 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3dx8 n ASP 106 N -4.58 0.31 0.00 -2.05 5.75 -1.26 -4.90 116.55 109.83 3dx8 n ASP 106 Ca 0.26 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.79 3dx8 n ASP 106 Cb 0.98 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 3dx8 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dx8 n GLY 107 N 0.96 0.53 3.85 6.12 0.00 0.12 -5.04 105.19 111.73 3dx8 n GLY 107 Ca 0.20 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3dx8 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dx8 s ARG 108 N -0.54 3.89 -0.18 1.61 0.52 -1.26 -4.77 118.95 118.21 3dx8 s ARG 108 Ca 0.00 0.36 -0.36 0.00 -0.52 0.00 0.00 55.73 55.21 3dx8 s ARG 108 Cb 0.00 -3.06 -0.12 0.00 0.52 0.00 0.00 34.95 32.29 3dx8 s ARG 108 CO 0.00 0.58 1.90 -0.11 0.02 0.00 0.00 175.30 177.69 3dx8 n LEU 109 N 1.19 3.00 -0.09 2.53 7.94 -1.26 -1.71 117.00 128.59 3dx8 n LEU 109 Ca -0.09 0.90 -0.18 0.00 -1.11 0.00 0.00 56.01 55.53 3dx8 n LEU 109 Cb 0.52 -1.30 -0.11 0.00 0.53 0.00 0.00 43.42 43.06 3dx8 n LEU 109 CO 0.41 -0.26 -0.15 -0.07 -1.11 0.00 0.00 177.39 176.21 3dx8 h LEU 110 N 9.31 0.00 -7.00 -1.96 4.07 -0.65 -3.47 115.31 115.61 3dx8 h LEU 110 Ca -0.45 -0.66 0.02 0.00 0.08 0.00 0.00 57.88 56.87 3dx8 h LEU 110 Cb 1.29 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.86 3dx8 h LEU 110 CO 0.96 1.25 0.35 0.00 -1.08 0.00 0.00 178.44 179.92 3dx8 s ARG 111 N -2.28 0.95 0.25 1.13 1.70 -1.16 -5.00 118.95 114.54 3dx8 s ARG 111 Ca -0.24 -0.09 0.08 0.00 -0.47 0.00 0.00 55.73 55.02 3dx8 s ARG 111 Cb 0.02 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 3dx8 s ARG 111 CO 0.60 -0.36 0.08 0.20 -1.08 0.00 0.00 175.30 174.73 3dx8 s GLY 112 N -1.88 1.57 -0.00 3.88 0.00 -1.26 -0.38 107.32 109.24 3dx8 s GLY 112 Ca -0.02 -1.52 -0.02 0.00 0.00 0.00 0.00 44.72 43.16 3dx8 s GLY 112 CO -0.02 -1.57 0.04 -0.19 0.00 0.00 0.00 173.10 171.36 3dx8 s TYR 113 N -2.17 0.05 -0.35 1.90 1.51 0.55 -4.79 117.35 114.06 3dx8 s TYR 113 Ca 0.31 -0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.33 3dx8 s TYR 113 Cb -0.07 -0.06 0.18 0.00 -0.11 0.00 0.00 41.96 41.91 3dx8 s TYR 113 CO 0.22 -0.12 0.58 0.34 -1.11 0.00 0.00 175.55 175.45 3dx8 s ASP 114 N -0.65 -1.22 -0.02 2.29 2.15 -1.26 -1.95 116.67 116.01 3dx8 s ASP 114 Ca -0.07 -0.40 0.06 0.00 0.43 0.00 0.00 52.55 52.58 3dx8 s ASP 114 Cb -0.04 1.83 -0.02 0.00 -0.30 0.00 0.00 42.92 44.38 3dx8 s ASP 114 CO -0.00 -0.25 -0.21 -1.10 -0.17 0.00 0.00 175.17 173.44 3dx8 s GLN 115 N 2.29 2.22 0.09 4.34 -0.21 -0.16 -0.70 119.66 127.53 3dx8 s GLN 115 Ca 0.13 -0.87 0.06 0.00 0.02 0.00 0.00 55.36 54.70 3dx8 s GLN 115 Cb -0.08 -2.16 -0.03 0.00 1.00 0.00 0.00 33.01 31.73 3dx8 s GLN 115 CO -0.17 0.58 -0.16 0.71 -2.12 0.00 0.00 175.29 174.13 3dx8 s TYR 116 N -0.69 1.42 0.06 0.91 1.51 0.51 -1.29 117.35 119.78 3dx8 s TYR 116 Ca 0.11 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3dx8 s TYR 116 Cb -0.10 -0.78 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 3dx8 s TYR 116 CO 0.00 0.12 -0.09 0.00 -1.11 0.00 0.00 175.55 174.47 3dx8 s ALA 117 N -1.39 0.79 -0.08 3.71 0.00 -0.02 -1.01 121.76 123.77 3dx8 s ALA 117 Ca 0.02 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3dx8 s ALA 117 Cb -0.09 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3dx8 s ALA 117 CO 0.03 -0.04 -0.08 -0.47 0.00 0.00 0.00 175.76 175.20 3dx8 s TYR 118 N -1.92 1.29 -1.60 0.00 5.04 0.08 -1.73 117.35 118.50 3dx8 s TYR 118 Ca -0.03 -0.53 -0.15 0.00 -2.44 0.00 0.00 57.07 53.93 3dx8 s TYR 118 Cb -0.06 -1.04 0.11 0.00 0.35 0.00 0.00 41.96 41.32 3dx8 s TYR 118 CO -0.00 -0.35 0.83 -0.25 -1.34 0.00 0.00 175.55 174.44 3dx8 n ASP 119 N 4.35 -3.56 0.00 4.32 8.00 0.24 -2.00 116.55 127.89 3dx8 n ASP 119 Ca -0.18 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.40 3dx8 n ASP 119 Cb 0.51 -3.25 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 3dx8 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dx8 n GLY 120 N -1.57 0.56 3.41 0.44 0.00 -1.26 -5.02 105.19 101.75 3dx8 n GLY 120 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3dx8 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dx8 s LYS 121 N -0.18 2.23 0.26 1.61 1.02 -0.85 -5.09 119.74 118.75 3dx8 s LYS 121 Ca 0.00 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 54.83 3dx8 s LYS 121 Cb 0.00 -2.20 -0.14 0.00 -0.52 0.00 0.00 37.83 34.97 3dx8 s LYS 121 CO 0.00 0.58 1.20 -0.25 -0.92 0.00 0.00 175.35 175.96 3dx8 n ASP 122 N 2.13 1.99 0.01 2.83 8.00 -1.26 -0.74 116.55 129.52 3dx8 n ASP 122 Ca -0.17 1.17 -0.00 0.00 0.71 0.00 0.00 54.79 56.50 3dx8 n ASP 122 Cb 0.52 -1.35 -0.00 0.00 -0.02 0.00 0.00 41.12 40.26 3dx8 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dx8 n TYR 123 N 0.94 0.00 -3.83 1.24 9.36 -0.18 -4.60 117.16 120.08 3dx8 n TYR 123 Ca 0.10 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.20 3dx8 n TYR 123 Cb 0.31 -0.02 -0.11 0.00 -0.63 0.00 0.00 39.34 38.89 3dx8 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3dx8 s ILE 124 N -1.34 0.04 -0.03 2.97 2.07 -1.20 -0.97 121.20 122.74 3dx8 s ILE 124 Ca -0.01 -0.37 -0.04 0.00 -1.41 0.00 0.00 60.65 58.82 3dx8 s ILE 124 Cb 0.00 -0.38 0.01 0.00 0.13 0.00 0.00 42.46 42.23 3dx8 s ILE 124 CO 0.02 -0.20 0.10 0.00 -1.91 0.00 0.00 174.94 172.95 3dx8 s ALA 125 N -0.72 -0.25 0.12 1.50 0.00 -0.12 -0.36 121.76 121.93 3dx8 s ALA 125 Ca -0.08 0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.81 3dx8 s ALA 125 Cb -0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.84 3dx8 s ALA 125 CO 0.01 -0.06 1.51 -1.17 0.00 0.00 0.00 175.76 176.05 3dx8 s LEU 126 N -0.05 4.36 0.76 0.00 2.96 0.12 -0.63 118.68 126.21 3dx8 s LEU 126 Ca -0.01 2.45 -0.11 0.00 -0.22 0.00 0.00 54.13 56.24 3dx8 s LEU 126 Cb -0.01 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.14 3dx8 s LEU 126 CO 0.00 -0.77 1.08 0.20 -1.32 0.00 0.00 176.35 175.55 3dx8 s ASN 127 N 1.40 4.69 0.58 3.68 0.01 0.23 -4.53 114.94 121.01 3dx8 s ASN 127 Ca 0.68 1.65 0.28 0.00 -0.71 0.00 0.00 52.86 54.76 3dx8 s ASN 127 Cb -0.40 -2.41 1.67 0.00 0.41 0.00 0.00 41.25 40.53 3dx8 s ASN 127 CO 0.31 -1.89 2.14 -0.08 -1.51 0.00 0.00 177.10 176.06 3dx8 h GLU 128 N -1.03 0.00 0.00 -0.60 4.81 -1.88 0.72 114.58 116.60 3dx8 h GLU 128 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3dx8 h GLU 128 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3dx8 h GLU 128 CO 0.55 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.43 3dx8 n ASP 129 N -3.86 0.26 -2.08 1.04 5.68 -1.26 -4.78 116.55 111.56 3dx8 n ASP 129 Ca 0.01 0.58 -0.20 0.00 -0.50 0.00 0.00 54.79 54.68 3dx8 n ASP 129 Cb 0.27 -0.63 -0.04 0.00 -1.14 0.00 0.00 41.12 39.57 3dx8 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3dx8 n LEU 130 N -1.81 -1.67 0.00 -2.12 4.77 0.24 -4.77 117.00 111.64 3dx8 n LEU 130 Ca 0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3dx8 n LEU 130 Cb 0.13 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.43 3dx8 n LEU 130 CO 0.12 -0.53 -0.00 -1.54 -1.33 0.00 0.00 177.39 174.11 3dx8 n SER 131 N -1.69 0.04 -4.30 -1.43 3.41 -1.26 -4.45 113.62 103.94 3dx8 n SER 131 Ca -0.22 -0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.23 3dx8 n SER 131 Cb 0.66 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.53 3dx8 n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dx8 s SER 132 N -0.02 1.94 0.06 4.04 1.04 -1.26 -4.89 113.70 114.60 3dx8 s SER 132 Ca 0.00 -1.10 0.07 0.00 0.48 0.00 0.00 55.95 55.40 3dx8 s SER 132 Cb 0.00 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 3dx8 s SER 132 CO 0.00 -0.39 -0.16 0.26 0.98 0.00 0.00 173.24 173.94 3dx8 s TRP 133 N -3.31 2.61 -0.25 5.02 0.52 -1.26 -0.60 118.94 121.66 3dx8 s TRP 133 Ca 0.22 -0.22 -0.05 0.00 0.02 0.00 0.00 56.10 56.07 3dx8 s TRP 133 Cb 0.03 -1.45 0.00 0.00 -1.15 0.00 0.00 33.47 30.91 3dx8 s TRP 133 CO 0.05 0.32 0.01 0.99 0.02 0.00 0.00 176.95 178.34 3dx8 s THR 134 N -1.02 3.63 -0.16 2.01 2.01 0.19 -4.90 115.64 117.41 3dx8 s THR 134 Ca 0.16 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.48 3dx8 s THR 134 Cb -0.11 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 3dx8 s THR 134 CO 0.08 0.25 0.14 0.00 -0.69 0.00 0.00 174.62 174.40 3dx8 s ALA 135 N 1.48 3.79 -0.52 7.40 0.00 -1.26 -0.94 121.76 131.71 3dx8 s ALA 135 Ca 0.04 -0.66 0.24 0.00 0.00 0.00 0.00 51.96 51.57 3dx8 s ALA 135 Cb -0.16 -2.07 0.45 0.00 0.00 0.00 0.00 23.12 21.35 3dx8 s ALA 135 CO -0.01 0.39 1.62 0.00 0.00 0.00 0.00 175.76 177.76 3dx8 h ALA 136 N 5.81 0.96 -2.96 0.00 0.00 -1.30 -3.47 119.26 118.29 3dx8 h ALA 136 Ca -0.48 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3dx8 h ALA 136 Cb 1.19 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.99 3dx8 h ALA 136 CO 0.67 0.00 0.27 -0.40 0.00 0.00 0.00 179.25 179.79 3dx8 n ASP 137 N -2.81 -2.25 0.26 0.00 5.68 -1.26 -5.04 116.55 111.13 3dx8 n ASP 137 Ca 0.04 -2.55 0.14 0.00 -0.50 0.00 0.00 54.79 51.92 3dx8 n ASP 137 Cb 0.50 3.74 0.66 0.00 -1.14 0.00 0.00 41.12 44.88 3dx8 n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3dx8 h THR 138 N 1.96 0.30 -0.03 2.12 1.35 -1.99 -1.35 112.91 115.27 3dx8 h THR 138 Ca -0.33 -0.68 -0.04 0.00 -0.55 0.00 0.00 66.41 64.81 3dx8 h THR 138 Cb 1.21 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3dx8 h THR 138 CO 0.41 0.10 -0.12 0.00 -0.25 0.00 0.00 175.52 175.66 3dx8 h ALA 139 N 1.90 0.06 0.00 6.62 0.00 -1.97 -3.13 119.26 122.73 3dx8 h ALA 139 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3dx8 h ALA 139 Cb 0.52 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3dx8 h ALA 139 CO 0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 179.25 179.13 3dx8 h ALA 140 N 0.39 1.69 -0.22 0.00 0.00 -1.79 -0.96 119.26 118.38 3dx8 h ALA 140 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3dx8 h ALA 140 Cb 0.76 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3dx8 h ALA 140 CO 0.02 0.13 0.06 1.96 0.00 0.00 0.00 179.25 181.42 3dx8 h GLN 141 N 0.00 0.30 -0.22 0.00 4.20 -1.25 0.11 115.11 118.25 3dx8 h GLN 141 Ca -0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3dx8 h GLN 141 Cb 0.19 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3dx8 h GLN 141 CO 0.01 0.27 0.08 0.82 -0.67 0.00 0.00 178.83 179.35 3dx8 h ILE 142 N 0.30 1.17 -0.64 2.54 1.08 -1.12 -1.33 117.51 119.52 3dx8 h ILE 142 Ca 0.08 -0.52 -0.02 0.00 -0.39 0.00 0.00 64.86 64.01 3dx8 h ILE 142 Cb 0.10 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 3dx8 h ILE 142 CO -0.01 0.17 0.33 0.74 -0.69 0.00 0.00 178.15 178.70 3dx8 h THR 143 N 0.20 1.21 -0.45 -0.27 2.02 -1.30 -2.62 112.91 111.70 3dx8 h THR 143 Ca 0.07 -0.55 0.07 0.00 0.77 0.00 0.00 66.41 66.77 3dx8 h THR 143 Cb 0.19 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 3dx8 h THR 143 CO -0.01 0.23 0.12 -0.61 0.37 0.00 0.00 175.52 175.63 3dx8 h GLN 144 N 0.87 0.26 -0.86 6.66 4.15 -0.56 -0.36 115.11 125.27 3dx8 h GLN 144 Ca 0.22 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.63 3dx8 h GLN 144 Cb 0.07 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 3dx8 h GLN 144 CO -0.03 0.17 0.56 0.00 -1.93 0.00 0.00 178.83 177.60 3dx8 h ARG 145 N 0.27 1.13 -0.69 1.69 3.08 -1.13 0.34 114.38 119.07 3dx8 h ARG 145 Ca 0.22 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3dx8 h ARG 145 Cb 0.26 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3dx8 h ARG 145 CO -0.26 0.75 0.42 0.87 -1.07 0.00 0.00 179.97 180.68 3dx8 h LYS 146 N 1.16 0.94 0.05 0.04 1.57 -0.99 -1.60 116.57 117.73 3dx8 h LYS 146 Ca 0.31 -0.09 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 3dx8 h LYS 146 Cb -0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 3dx8 h LYS 146 CO -0.07 0.67 -1.05 -1.49 -0.57 0.00 0.00 179.45 176.95 3dx8 h TRP 147 N 0.94 0.26 -0.01 -1.35 6.55 -0.58 -2.45 115.95 119.31 3dx8 h TRP 147 Ca 0.25 -0.17 0.00 0.00 0.95 0.00 0.00 58.89 59.92 3dx8 h TRP 147 Cb -0.03 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 28.25 3dx8 h TRP 147 CO -0.01 1.09 -0.00 0.93 -1.05 0.00 0.00 178.44 179.39 3dx8 h GLU 148 N 0.06 0.00 -0.71 0.49 5.08 -0.28 -1.32 114.58 117.90 3dx8 h GLU 148 Ca -0.06 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3dx8 h GLU 148 Cb 1.76 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.96 3dx8 h GLU 148 CO 0.16 0.00 0.47 0.00 -1.00 0.00 0.00 179.01 178.64 3dx8 h ALA 149 N 1.01 1.84 -0.41 3.43 0.00 -1.23 -2.03 119.26 121.87 3dx8 h ALA 149 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dx8 h ALA 149 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dx8 h ALA 149 CO -0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3dx8 n ALA 150 N -2.47 2.43 -3.78 0.00 0.00 -0.93 -4.96 120.51 110.80 3dx8 n ALA 150 Ca 0.12 -0.93 -0.23 0.00 0.00 0.00 0.00 53.44 52.39 3dx8 n ALA 150 Cb 0.33 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.86 3dx8 n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dx8 n ARG 151 N 1.24 -4.06 -0.03 0.00 5.12 -0.77 -4.88 116.66 113.28 3dx8 n ARG 151 Ca 0.19 0.54 -0.09 0.00 -1.93 0.00 0.00 57.85 56.56 3dx8 n ARG 151 Cb 0.54 -4.89 0.06 0.00 -1.16 0.00 0.00 32.46 27.01 3dx8 n ARG 151 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3dx8 h VAL 152 N -1.85 1.30 -0.87 1.55 2.07 -1.53 -3.16 116.25 113.76 3dx8 h VAL 152 Ca -0.62 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 65.28 3dx8 h VAL 152 Cb 1.36 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 3dx8 h VAL 152 CO 0.58 0.52 0.58 0.00 0.02 0.00 0.00 177.57 179.26 3dx8 h ALA 153 N 0.99 1.11 -0.94 1.67 0.00 -1.90 -0.40 119.26 119.78 3dx8 h ALA 153 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3dx8 h ALA 153 Cb 0.97 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3dx8 h ALA 153 CO 0.09 0.50 0.61 1.49 0.00 0.00 0.00 179.25 181.95 3dx8 h GLU 154 N 1.18 1.25 -0.25 0.00 4.81 -1.79 0.74 114.58 120.52 3dx8 h GLU 154 Ca 0.32 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 3dx8 h GLU 154 Cb -0.13 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 28.97 3dx8 h GLU 154 CO -0.07 0.84 -0.23 1.96 -0.73 0.00 0.00 179.01 180.78 3dx8 h GLN 155 N 1.28 0.59 -0.04 1.92 4.20 -1.42 -1.85 115.11 119.80 3dx8 h GLN 155 Ca 0.34 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.78 3dx8 h GLN 155 Cb -0.13 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 3dx8 h GLN 155 CO -0.07 0.90 -0.16 -0.44 -0.67 0.00 0.00 178.83 178.39 3dx8 h ASP 156 N 0.31 -0.47 -0.44 1.46 3.32 -0.76 -1.05 116.42 118.79 3dx8 h ASP 156 Ca 0.04 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.24 3dx8 h ASP 156 Cb 0.78 0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.48 3dx8 h ASP 156 CO 0.06 -0.21 0.08 -0.09 -1.72 0.00 0.00 179.24 177.36 3dx8 h ARG 157 N -0.24 0.21 -0.32 3.56 2.43 -0.83 0.21 114.38 119.40 3dx8 h ARG 157 Ca 0.07 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3dx8 h ARG 157 Cb 0.33 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3dx8 h ARG 157 CO -0.18 0.14 0.12 0.00 -1.51 0.00 0.00 179.97 178.53 3dx8 h ALA 158 N 1.34 0.38 0.19 2.80 0.00 -1.03 0.30 119.26 123.24 3dx8 h ALA 158 Ca 0.22 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3dx8 h ALA 158 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3dx8 h ALA 158 CO -0.29 -0.27 -0.17 -0.92 0.00 0.00 0.00 179.25 177.60 3dx8 h TYR 159 N 0.27 -0.43 -0.38 0.00 3.20 -0.61 -0.54 116.97 118.47 3dx8 h TYR 159 Ca 0.14 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 3dx8 h TYR 159 Cb 0.10 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3dx8 h TYR 159 CO -0.13 -0.25 0.00 -0.07 -1.64 0.00 0.00 178.16 176.07 3dx8 h LEU 160 N -0.38 0.57 0.00 2.82 3.38 -0.32 -0.95 115.31 120.43 3dx8 h LEU 160 Ca -0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3dx8 h LEU 160 Cb 0.35 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3dx8 h LEU 160 CO -0.03 0.64 -0.48 -0.33 0.09 0.00 0.00 178.44 178.33 3dx8 h GLU 161 N 0.57 0.00 0.00 1.13 5.08 -0.92 -3.34 114.58 117.10 3dx8 h GLU 161 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3dx8 h GLU 161 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3dx8 h GLU 161 CO 0.01 0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 3dx8 n GLY 162 N 1.19 0.46 0.36 -3.84 0.00 -0.22 -4.73 105.19 98.41 3dx8 n GLY 162 Ca 0.01 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.26 3dx8 n GLY 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dx8 h LEU 163 N 0.00 0.53 0.20 0.99 5.85 -1.66 -1.12 115.31 120.10 3dx8 h LEU 163 Ca 0.00 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3dx8 h LEU 163 Cb 0.00 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3dx8 h LEU 163 CO 0.00 -0.04 -0.09 0.00 -0.34 0.00 0.00 178.44 177.97 3dx8 h VAL 165 N -0.40 1.27 -0.39 0.00 -1.51 -1.57 -2.01 116.25 111.65 3dx8 h VAL 165 Ca -0.03 -1.41 -0.05 0.00 -1.23 0.00 0.00 66.70 63.99 3dx8 h VAL 165 Cb 0.31 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.69 3dx8 h VAL 165 CO 0.04 0.47 0.06 -0.33 -1.23 0.00 0.00 177.57 176.58 3dx8 h GLU 166 N 0.73 0.64 -0.34 5.19 5.08 -1.11 -1.47 114.58 123.30 3dx8 h GLU 166 Ca 0.09 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 3dx8 h GLU 166 Cb 0.81 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 3dx8 h GLU 166 CO 0.07 0.70 -0.44 0.66 -1.00 0.00 0.00 179.01 179.00 3dx8 h SER 167 N 0.49 0.94 -0.57 1.42 4.64 -1.15 -2.55 113.55 116.77 3dx8 h SER 167 Ca 0.12 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3dx8 h SER 167 Cb 0.38 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 3dx8 h SER 167 CO 0.01 1.24 0.36 0.25 -0.87 0.00 0.00 176.83 177.82 3dx8 h LEU 168 N 0.70 0.67 -0.74 5.97 5.85 -1.26 -0.59 115.31 125.91 3dx8 h LEU 168 Ca 0.04 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3dx8 h LEU 168 Cb 1.03 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 3dx8 h LEU 168 CO 0.10 0.52 0.42 0.03 -0.34 0.00 0.00 178.44 179.17 3dx8 h ARG 169 N 0.77 0.73 -0.44 1.25 3.08 -1.24 0.64 114.38 119.17 3dx8 h ARG 169 Ca 0.21 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 3dx8 h ARG 169 Cb -0.05 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3dx8 h ARG 169 CO -0.04 0.48 0.10 -0.09 -1.07 0.00 0.00 179.97 179.35 3dx8 h ARG 170 N 0.75 0.71 -0.68 0.04 2.43 -0.99 -2.61 114.38 114.02 3dx8 h ARG 170 Ca 0.34 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3dx8 h ARG 170 Cb 0.24 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3dx8 h ARG 170 CO -0.20 0.72 0.28 1.88 -1.51 0.00 0.00 179.97 181.14 3dx8 h TYR 171 N 0.58 1.03 -0.40 2.20 0.05 -0.68 -0.82 116.97 118.93 3dx8 h TYR 171 Ca 0.14 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 3dx8 h TYR 171 Cb 0.33 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 3dx8 h TYR 171 CO 0.02 0.79 0.14 -0.07 -1.05 0.00 0.00 178.16 177.99 3dx8 h LEU 172 N 0.96 0.51 0.17 3.88 3.38 -0.81 0.24 115.31 123.64 3dx8 h LEU 172 Ca 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3dx8 h LEU 172 Cb 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3dx8 h LEU 172 CO -0.02 0.48 -0.08 -0.08 0.09 0.00 0.00 178.44 178.83 3dx8 h GLU 173 N 0.56 -0.22 -0.81 1.13 4.57 -1.20 -2.17 114.58 116.44 3dx8 h GLU 173 Ca 0.14 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.45 3dx8 h GLU 173 Cb 0.14 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 3dx8 h GLU 173 CO -0.01 0.20 0.53 -0.91 -1.18 0.00 0.00 179.01 177.64 3dx8 h ASN 174 N -0.88 0.61 -0.66 1.04 2.35 -1.07 -2.56 115.58 114.41 3dx8 h ASN 174 Ca -0.02 0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 3dx8 h ASN 174 Cb 0.52 -0.10 -0.13 0.00 0.05 0.00 0.00 38.32 38.65 3dx8 h ASN 174 CO 0.04 0.34 0.24 0.61 -1.65 0.00 0.00 177.43 177.01 3dx8 n GLY 175 N -1.45 3.99 0.27 2.83 0.00 0.85 -4.71 105.19 106.96 3dx8 n GLY 175 Ca 0.15 -1.05 0.05 0.00 0.00 0.00 0.00 46.02 45.16 3dx8 n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dx8 h LYS 176 N 2.13 0.24 0.00 1.61 2.10 -0.95 0.26 116.57 121.96 3dx8 h LYS 176 Ca 0.27 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.89 3dx8 h LYS 176 Cb 2.20 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 33.49 3dx8 h LYS 176 CO 0.67 0.25 -0.04 0.93 -2.00 0.00 0.00 179.45 179.26 3dx8 h GLU 177 N 0.24 0.00 0.00 0.07 5.08 -1.85 -2.68 114.58 115.44 3dx8 h GLU 177 Ca 0.06 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3dx8 h GLU 177 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3dx8 h GLU 177 CO -0.00 0.04 -1.32 0.25 -1.00 0.00 0.00 179.01 176.98 3dx8 n THR 178 N -4.46 0.74 0.21 1.13 -2.24 -0.51 -4.32 114.28 104.82 3dx8 n THR 178 Ca -0.03 -0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.76 3dx8 n THR 178 Cb 0.12 -1.69 0.51 0.00 -2.10 0.00 0.00 70.33 67.17 3dx8 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dx8 h LEU 179 N -0.37 0.05 -3.40 3.22 3.38 -0.68 -2.08 115.31 115.43 3dx8 h LEU 179 Ca -0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3dx8 h LEU 179 Cb 1.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3dx8 h LEU 179 CO -0.13 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3dx8 n GLN 180 N -4.36 3.92 -3.86 1.13 6.02 -1.01 -4.87 117.38 114.35 3dx8 n GLN 180 Ca -0.02 -2.99 -0.36 0.00 -0.01 0.00 0.00 57.00 53.62 3dx8 n GLN 180 Cb 0.21 -2.04 -0.13 0.00 1.02 0.00 0.00 30.24 29.29 3dx8 n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3dx8 s ARG 181 N -2.72 3.10 -0.16 -1.09 3.52 -0.78 -4.98 118.95 115.84 3dx8 s ARG 181 Ca 0.48 -0.83 -0.20 0.00 -0.13 0.00 0.00 55.73 55.06 3dx8 s ARG 181 Cb 0.37 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 3dx8 s ARG 181 CO 0.13 -0.36 0.58 0.00 -0.81 0.00 0.00 175.30 174.84 3dx8 s ALA 182 N 1.44 3.49 -0.30 6.12 0.00 -1.26 -4.79 121.76 126.46 3dx8 s ALA 182 Ca 0.03 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 3dx8 s ALA 182 Cb -0.16 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3dx8 s ALA 182 CO -0.01 -0.31 0.28 -0.51 0.00 0.00 0.00 175.76 175.20 3dx8 s ASP 183 N 0.98 6.12 0.71 0.00 1.01 0.10 -4.74 116.67 120.85 3dx8 s ASP 183 Ca 0.28 -0.05 -0.12 0.00 0.71 0.00 0.00 52.55 53.37 3dx8 s ASP 183 Cb -0.16 -2.16 0.02 0.00 1.01 0.00 0.00 42.92 41.64 3dx8 s ASP 183 CO 0.11 -0.17 1.08 -2.16 0.21 0.00 0.00 175.17 174.24 3dx8 s PRO 184 N 1.88 2.63 0.37 8.23 0.04 -1.26 -1.53 135.00 145.37 3dx8 s PRO 184 Ca 0.10 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.05 3dx8 s PRO 184 Cb -0.16 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 3dx8 s PRO 184 CO 0.11 -1.35 1.12 -1.25 0.04 0.00 0.00 177.00 175.67 3dx8 s PRO 185 N -4.69 4.21 -0.19 0.56 0.04 -1.26 -4.28 135.00 129.39 3dx8 s PRO 185 Ca 0.62 1.75 -0.17 0.00 0.04 0.00 0.00 61.00 63.24 3dx8 s PRO 185 Cb -0.17 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 3dx8 s PRO 185 CO 0.51 -0.16 0.46 0.15 0.04 0.00 0.00 177.00 177.99 3dx8 s LYS 186 N -2.17 4.21 -0.05 4.56 1.02 0.79 -4.86 119.74 123.24 3dx8 s LYS 186 Ca 0.55 0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.88 3dx8 s LYS 186 Cb -0.29 -3.53 0.01 0.00 -0.52 0.00 0.00 37.83 33.51 3dx8 s LYS 186 CO 0.36 -0.05 -0.09 0.95 -0.92 0.00 0.00 175.35 175.60 3dx8 s THR 187 N 1.31 0.89 0.13 2.17 -4.23 -1.26 -0.55 115.64 114.10 3dx8 s THR 187 Ca 0.22 -0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.32 3dx8 s THR 187 Cb -0.15 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.84 3dx8 s THR 187 CO 0.09 0.29 0.14 -1.38 -0.54 0.00 0.00 174.62 173.22 3dx8 s HIS 188 N 0.59 0.58 -0.14 3.99 -3.43 -1.00 -4.98 115.29 110.90 3dx8 s HIS 188 Ca -0.11 -0.98 -0.01 0.00 -0.80 0.00 0.00 55.06 53.17 3dx8 s HIS 188 Cb -0.14 -0.27 -0.01 0.00 -1.43 0.00 0.00 32.58 30.73 3dx8 s HIS 188 CO 0.02 -0.58 -0.12 0.08 -2.00 0.00 0.00 174.74 172.15 3dx8 s VAL 189 N -3.98 3.11 0.26 -5.38 1.01 -1.26 -0.26 120.40 113.91 3dx8 s VAL 189 Ca 0.18 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3dx8 s VAL 189 Cb 0.06 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3dx8 s VAL 189 CO -0.02 0.51 0.09 0.42 0.00 0.00 0.00 175.10 176.11 3dx8 s THR 190 N 0.49 3.85 -0.14 3.92 -4.23 0.51 -4.68 115.64 115.36 3dx8 s THR 190 Ca -0.08 -1.68 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 3dx8 s THR 190 Cb -0.16 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.61 3dx8 s THR 190 CO 0.04 -0.35 -0.16 -2.28 -0.54 0.00 0.00 174.62 171.33 3dx8 s HIS 191 N -2.25 2.24 -0.32 3.99 2.46 -1.26 -1.29 115.29 118.85 3dx8 s HIS 191 Ca 0.32 -1.22 -0.01 0.00 0.47 0.00 0.00 55.06 54.62 3dx8 s HIS 191 Cb -0.07 -1.61 0.10 0.00 -0.13 0.00 0.00 32.58 30.87 3dx8 s HIS 191 CO 0.22 -0.64 0.12 -1.01 -2.47 0.00 0.00 174.74 170.95 3dx8 s HIS 192 N 1.32 1.44 0.16 3.88 3.76 0.09 -4.98 115.29 120.96 3dx8 s HIS 192 Ca 0.02 -1.62 -0.31 0.00 -0.15 0.00 0.00 55.06 52.99 3dx8 s HIS 192 Cb -0.13 -1.55 -0.11 0.00 1.11 0.00 0.00 32.58 31.90 3dx8 s HIS 192 CO -0.09 -0.86 1.77 -2.14 -0.85 0.00 0.00 174.74 172.57 3dx8 s PRO 193 N 1.60 4.14 -0.13 8.40 0.02 -1.26 0.01 135.00 147.78 3dx8 s PRO 193 Ca 0.10 2.58 -0.13 0.00 0.02 0.00 0.00 61.00 63.57 3dx8 s PRO 193 Cb -0.18 -3.36 -0.11 0.00 0.02 0.00 0.00 34.50 30.87 3dx8 s PRO 193 CO -0.25 -0.79 0.28 0.82 -0.33 0.00 0.00 177.00 176.73 3dx8 h ILE 194 N 4.30 0.73 -1.50 2.83 2.04 -1.65 -3.46 117.51 120.80 3dx8 h ILE 194 Ca -0.45 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 63.83 3dx8 h ILE 194 Cb 1.21 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 3dx8 h ILE 194 CO 0.95 0.25 0.00 -1.54 0.00 0.00 0.00 178.15 177.81 3dx8 n SER 195 N -4.67 0.01 -0.09 1.72 3.41 -1.00 -5.02 113.62 107.97 3dx8 n SER 195 Ca -0.07 -0.49 -0.06 0.00 -0.26 0.00 0.00 58.87 57.99 3dx8 n SER 195 Cb 0.26 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.34 3dx8 n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dx8 h ASP 196 N 0.00 0.74 -0.01 4.04 3.32 -2.03 -3.33 116.42 119.15 3dx8 h ASP 196 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3dx8 h ASP 196 Cb 0.00 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3dx8 h ASP 196 CO 0.00 0.88 0.00 1.41 -1.72 0.00 0.00 179.24 179.81 3dx8 n HIS 197 N -4.17 0.03 -3.95 4.55 8.25 -1.26 -4.78 115.22 113.89 3dx8 n HIS 197 Ca 0.01 -0.76 -0.10 0.00 -0.26 0.00 0.00 57.72 56.62 3dx8 n HIS 197 Cb 0.36 -0.11 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 3dx8 n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3dx8 s GLU 198 N -1.98 0.33 0.06 -0.41 2.02 -1.25 -1.88 118.70 115.59 3dx8 s GLU 198 Ca 0.17 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.65 3dx8 s GLU 198 Cb 0.15 0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.47 3dx8 s GLU 198 CO 0.02 -0.06 -0.05 0.14 0.02 0.00 0.00 175.26 175.33 3dx8 s VAL 199 N -1.34 0.41 -0.19 2.63 -7.23 0.25 -1.70 120.40 113.24 3dx8 s VAL 199 Ca -0.15 -1.53 -0.12 0.00 -1.81 0.00 0.00 61.98 58.37 3dx8 s VAL 199 Cb -0.09 -1.15 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 3dx8 s VAL 199 CO -0.00 -0.74 0.23 -0.89 -0.31 0.00 0.00 175.10 173.39 3dx8 s THR 200 N -2.84 5.34 -0.26 5.32 2.01 0.10 -0.30 115.64 125.01 3dx8 s THR 200 Ca 0.01 0.40 -0.08 0.00 0.31 0.00 0.00 61.69 62.32 3dx8 s THR 200 Cb 0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 3dx8 s THR 200 CO -0.05 0.39 0.10 -0.76 -0.69 0.00 0.00 174.62 173.61 3dx8 s LEU 201 N 0.59 3.61 -0.18 4.42 1.43 0.05 -0.73 118.68 127.86 3dx8 s LEU 201 Ca 0.13 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 3dx8 s LEU 201 Cb -0.13 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3dx8 s LEU 201 CO 0.02 -0.06 -0.07 -0.60 0.23 0.00 0.00 176.35 175.88 3dx8 s ARG 202 N 1.63 3.43 -0.23 1.70 3.52 -0.42 -1.54 118.95 127.05 3dx8 s ARG 202 Ca 0.06 -0.62 -0.09 0.00 -0.13 0.00 0.00 55.73 54.95 3dx8 s ARG 202 Cb -0.15 -2.89 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 3dx8 s ARG 202 CO 0.05 -0.01 0.11 0.00 -0.81 0.00 0.00 175.30 174.64 3dx8 s TRP 204 N 1.01 2.84 -0.14 0.00 0.52 0.64 -1.41 118.94 122.41 3dx8 s TRP 204 Ca 0.06 -0.13 -0.00 0.00 0.02 0.00 0.00 56.10 56.05 3dx8 s TRP 204 Cb -0.14 -1.70 0.03 0.00 -1.15 0.00 0.00 33.47 30.51 3dx8 s TRP 204 CO 0.04 0.20 -0.09 0.00 0.02 0.00 0.00 176.95 177.12 3dx8 s ALA 205 N -0.61 1.54 0.12 0.98 0.00 -0.08 -2.37 121.76 121.36 3dx8 s ALA 205 Ca 0.09 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.40 3dx8 s ALA 205 Cb -0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 3dx8 s ALA 205 CO 0.02 -0.48 -0.18 -0.51 0.00 0.00 0.00 175.76 174.60 3dx8 s LEU 206 N 1.62 2.36 -0.81 0.00 1.43 0.28 -1.21 118.68 122.35 3dx8 s LEU 206 Ca 0.04 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 3dx8 s LEU 206 Cb -0.13 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.31 3dx8 s LEU 206 CO -0.09 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.09 3dx8 n GLY 207 N 0.77 0.70 3.93 -3.19 0.00 -0.92 -0.15 105.19 106.33 3dx8 n GLY 207 Ca -0.17 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 3dx8 n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dx8 s PHE 208 N -2.33 3.49 -0.18 1.61 -0.12 -1.03 -4.67 117.98 114.74 3dx8 s PHE 208 Ca 0.00 0.25 -0.15 0.00 -0.05 0.00 0.00 56.93 56.98 3dx8 s PHE 208 Cb 0.00 -1.77 0.05 0.00 -0.63 0.00 0.00 43.02 40.67 3dx8 s PHE 208 CO 0.00 0.47 0.48 -0.47 -0.05 0.00 0.00 175.22 175.65 3dx8 s TYR 209 N -1.74 -0.58 1.02 3.49 5.04 -0.58 -0.49 117.35 123.50 3dx8 s TYR 209 Ca 0.36 1.34 -0.17 0.00 -2.44 0.00 0.00 57.07 56.17 3dx8 s TYR 209 Cb -0.11 0.23 0.25 0.00 0.35 0.00 0.00 41.96 42.68 3dx8 s TYR 209 CO 0.28 -0.29 1.08 -0.35 -1.34 0.00 0.00 175.55 174.93 3dx8 n PRO 210 N 3.27 -2.24 0.17 4.97 -0.04 -1.26 0.00 135.00 139.86 3dx8 n PRO 210 Ca -0.16 -1.70 0.02 0.00 -0.04 0.00 0.00 63.50 61.62 3dx8 n PRO 210 Cb 0.56 -1.39 0.36 0.00 -0.04 0.00 0.00 33.50 32.99 3dx8 n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dx8 h ALA 211 N -2.33 1.39 -2.19 0.55 0.00 -1.94 -3.44 119.26 111.30 3dx8 h ALA 211 Ca -0.38 -0.31 -0.59 0.00 0.00 0.00 0.00 54.91 53.62 3dx8 h ALA 211 Cb 1.11 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 18.88 3dx8 h ALA 211 CO 0.26 0.44 0.90 -1.91 0.00 0.00 0.00 179.25 178.94 3dx8 n GLU 212 N -4.13 2.17 -3.47 0.00 4.07 -1.26 -4.95 120.64 113.06 3dx8 n GLU 212 Ca -0.02 0.79 -0.14 0.00 -0.06 0.00 0.00 57.16 57.73 3dx8 n GLU 212 Cb 0.38 -2.58 -0.04 0.00 -0.06 0.00 0.00 31.44 29.14 3dx8 n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3dx8 s ILE 213 N 1.99 0.00 -0.15 6.31 2.07 -1.26 -4.67 121.20 125.50 3dx8 s ILE 213 Ca 0.83 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 60.06 3dx8 s ILE 213 Cb -0.68 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.93 3dx8 s ILE 213 CO 0.42 -0.01 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.39 3dx8 s THR 214 N -2.79 1.70 -0.15 4.00 2.01 -0.52 -5.01 115.64 114.88 3dx8 s THR 214 Ca -0.03 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.27 3dx8 s THR 214 Cb -0.01 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.95 3dx8 s THR 214 CO -0.04 0.48 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.39 3dx8 s LEU 215 N 1.33 2.09 -0.01 4.42 1.43 -1.26 -1.35 118.68 125.33 3dx8 s LEU 215 Ca 0.02 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3dx8 s LEU 215 Cb -0.13 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.66 3dx8 s LEU 215 CO -0.09 0.06 0.03 0.42 0.23 0.00 0.00 176.35 177.01 3dx8 s THR 216 N 0.90 -0.01 -0.09 5.49 -4.23 -0.73 -4.96 115.64 112.02 3dx8 s THR 216 Ca -0.05 0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.40 3dx8 s THR 216 Cb -0.15 -0.06 -0.05 0.00 1.34 0.00 0.00 72.50 73.58 3dx8 s THR 216 CO -0.04 0.01 0.22 0.26 -0.54 0.00 0.00 174.62 174.53 3dx8 s TRP 217 N 0.16 3.64 -0.03 3.99 0.52 -1.26 0.30 118.94 126.25 3dx8 s TRP 217 Ca -0.01 0.67 0.07 0.00 0.02 0.00 0.00 56.10 56.85 3dx8 s TRP 217 Cb -0.02 -2.05 -0.02 0.00 -1.15 0.00 0.00 33.47 30.24 3dx8 s TRP 217 CO -0.00 0.71 -0.25 -0.65 0.02 0.00 0.00 176.95 176.77 3dx8 s GLN 218 N -1.03 2.23 -0.26 4.98 -0.21 0.11 -1.89 119.66 123.60 3dx8 s GLN 218 Ca 0.18 -0.92 -0.07 0.00 0.02 0.00 0.00 55.36 54.57 3dx8 s GLN 218 Cb -0.13 -2.08 -0.02 0.00 1.00 0.00 0.00 33.01 31.78 3dx8 s GLN 218 CO 0.07 0.52 0.05 0.50 -2.12 0.00 0.00 175.29 174.31 3dx8 s ARG 219 N -0.51 3.47 -1.45 2.91 3.52 0.10 -1.54 118.95 125.45 3dx8 s ARG 219 Ca 0.07 -0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 55.02 3dx8 s ARG 219 Cb -0.11 -3.28 0.04 0.00 -1.56 0.00 0.00 34.95 30.04 3dx8 s ARG 219 CO 0.00 -0.25 0.62 -0.25 -0.81 0.00 0.00 175.30 174.61 3dx8 n ASP 220 N 4.89 -1.63 0.00 -2.12 8.00 -0.43 -1.35 116.55 123.91 3dx8 n ASP 220 Ca -0.16 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.40 3dx8 n ASP 220 Cb 0.50 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.28 3dx8 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dx8 n GLY 221 N -1.76 0.39 3.37 0.44 0.00 -1.26 -5.00 105.19 101.36 3dx8 n GLY 221 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3dx8 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dx8 s GLU 222 N -0.67 3.46 0.31 1.61 2.12 -0.46 -5.01 118.70 120.06 3dx8 s GLU 222 Ca 0.00 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.44 3dx8 s GLU 222 Cb 0.00 -2.97 -0.13 0.00 0.26 0.00 0.00 34.13 31.29 3dx8 s GLU 222 CO 0.00 -0.06 1.28 -0.25 -0.54 0.00 0.00 175.26 175.69 3dx8 n ASP 223 N 4.41 2.56 -2.68 -1.70 8.00 -1.26 -0.73 116.55 125.16 3dx8 n ASP 223 Ca -0.18 1.19 -0.33 0.00 0.71 0.00 0.00 54.79 56.18 3dx8 n ASP 223 Cb 0.51 -1.44 0.02 0.00 -0.02 0.00 0.00 41.12 40.19 3dx8 n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dx8 n GLN 224 N 0.96 3.13 -0.24 -1.24 1.13 -0.79 -4.84 117.38 115.49 3dx8 n GLN 224 Ca 0.07 -4.07 -0.06 0.00 -1.94 0.00 0.00 57.00 51.00 3dx8 n GLN 224 Cb 0.34 -2.26 0.09 0.00 0.11 0.00 0.00 30.24 28.52 3dx8 n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3dx8 h THR 225 N 2.32 1.26 0.00 5.09 2.02 -1.91 -0.74 112.91 120.94 3dx8 h THR 225 Ca 0.42 -0.89 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 3dx8 h THR 225 Cb 0.52 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3dx8 h THR 225 CO 1.11 0.35 -0.40 -0.61 0.37 0.00 0.00 175.52 176.33 3dx8 h GLN 226 N 1.06 0.00 -0.40 6.66 5.75 -2.00 -3.30 115.11 122.87 3dx8 h GLN 226 Ca 0.23 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3dx8 h GLN 226 Cb 0.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.85 3dx8 h GLN 226 CO -0.01 0.40 0.00 -0.25 -2.65 0.00 0.00 178.83 176.33 3dx8 n ASP 227 N -3.86 3.07 -4.65 -0.69 8.00 -0.57 -4.92 116.55 112.92 3dx8 n ASP 227 Ca -0.01 -2.00 -0.38 0.00 0.71 0.00 0.00 54.79 53.11 3dx8 n ASP 227 Cb 0.46 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.21 3dx8 n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dx8 s THR 228 N -1.00 5.24 -0.10 -3.53 2.01 -0.39 -4.59 115.64 113.28 3dx8 s THR 228 Ca 0.27 0.52 -0.25 0.00 0.31 0.00 0.00 61.69 62.54 3dx8 s THR 228 Cb 0.14 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 3dx8 s THR 228 CO 0.18 0.26 0.78 -0.70 -0.69 0.00 0.00 174.62 174.45 3dx8 s GLU 229 N 1.38 4.39 -0.16 4.92 2.12 -0.02 -4.92 118.70 126.40 3dx8 s GLU 229 Ca 0.15 0.98 -0.01 0.00 0.36 0.00 0.00 54.97 56.45 3dx8 s GLU 229 Cb -0.15 -3.50 0.04 0.00 0.26 0.00 0.00 34.13 30.78 3dx8 s GLU 229 CO 0.07 -0.12 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.46 3dx8 s LEU 230 N 1.40 1.55 0.52 2.70 2.96 -1.26 -0.10 118.68 126.44 3dx8 s LEU 230 Ca 0.39 -0.63 -0.16 0.00 -0.22 0.00 0.00 54.13 53.50 3dx8 s LEU 230 Cb -0.18 -0.88 -0.08 0.00 0.50 0.00 0.00 46.19 45.56 3dx8 s LEU 230 CO 0.17 -0.19 0.99 0.68 -1.32 0.00 0.00 176.35 176.68 3dx8 s VAL 231 N 1.66 4.50 0.35 1.68 -7.23 -1.06 -5.02 120.40 115.27 3dx8 s VAL 231 Ca 0.01 1.19 -0.29 0.00 -1.81 0.00 0.00 61.98 61.08 3dx8 s VAL 231 Cb -0.15 -3.70 -0.11 0.00 0.56 0.00 0.00 36.38 32.97 3dx8 s VAL 231 CO -0.08 -0.69 1.53 1.21 -0.31 0.00 0.00 175.10 176.76 3dx8 n GLU 232 N -1.63 2.68 -1.71 4.82 2.13 -1.26 -4.61 120.64 121.05 3dx8 n GLU 232 Ca 0.07 0.94 -0.43 0.00 0.66 0.00 0.00 57.16 58.40 3dx8 n GLU 232 Cb 0.54 -2.69 -0.02 0.00 0.27 0.00 0.00 31.44 29.53 3dx8 n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3dx8 n THR 233 N 1.06 0.68 -4.43 6.31 -1.04 -1.26 -4.84 114.28 110.76 3dx8 n THR 233 Ca 0.04 -0.17 -0.21 0.00 -2.04 0.00 0.00 64.05 61.67 3dx8 n THR 233 Cb 0.38 -1.81 -0.14 0.00 -1.82 0.00 0.00 70.33 66.94 3dx8 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dx8 s ARG 234 N 0.02 0.99 0.19 -2.82 1.70 -0.35 -4.96 118.95 113.72 3dx8 s ARG 234 Ca 0.69 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 3dx8 s ARG 234 Cb -0.55 -0.99 -0.08 0.00 -0.57 0.00 0.00 34.95 32.75 3dx8 s ARG 234 CO 0.44 0.25 1.15 -1.25 -1.08 0.00 0.00 175.30 174.82 3dx8 s PRO 235 N -0.94 4.54 0.27 3.89 0.04 -1.26 -0.61 135.00 140.93 3dx8 s PRO 235 Ca 0.03 1.81 0.14 0.00 0.04 0.00 0.00 61.00 63.02 3dx8 s PRO 235 Cb -0.07 -3.25 0.13 0.00 0.04 0.00 0.00 34.50 31.35 3dx8 s PRO 235 CO 0.01 0.00 1.47 0.00 0.04 0.00 0.00 177.00 178.52 3dx8 h ALA 236 N 5.02 0.67 0.00 8.56 0.00 -0.89 -3.47 119.26 129.16 3dx8 h ALA 236 Ca -0.45 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3dx8 h ALA 236 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3dx8 h ALA 236 CO 0.73 0.72 0.00 0.41 0.00 0.00 0.00 179.25 181.10 3dx8 n GLY 237 N 1.06 0.57 0.83 0.00 0.00 -1.26 -4.97 105.19 101.42 3dx8 n GLY 237 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3dx8 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dx8 n ASP 238 N 0.00 3.48 0.00 1.61 5.68 -1.26 -4.90 116.55 121.16 3dx8 n ASP 238 Ca 0.00 -3.14 0.00 0.00 -0.50 0.00 0.00 54.79 51.15 3dx8 n ASP 238 Cb 0.00 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 3dx8 n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3dx8 n ARG 239 N -0.73 0.00 -2.65 0.11 1.85 -1.26 -5.05 116.66 108.93 3dx8 n ARG 239 Ca 0.23 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.86 3dx8 n ARG 239 Cb 0.89 -0.50 0.04 0.00 -1.05 0.00 0.00 32.46 31.83 3dx8 n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3dx8 s THR 240 N -2.03 2.80 0.25 8.89 -4.23 -1.26 -4.86 115.64 115.21 3dx8 s THR 240 Ca 0.00 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 59.97 3dx8 s THR 240 Cb 0.00 -3.06 -0.05 0.00 1.34 0.00 0.00 72.50 70.73 3dx8 s THR 240 CO 0.00 -0.04 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.56 3dx8 s PHE 241 N -2.76 1.91 0.07 3.99 0.40 0.35 -0.19 117.98 121.75 3dx8 s PHE 241 Ca 0.56 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 56.35 3dx8 s PHE 241 Cb -0.10 -0.96 -0.03 0.00 0.51 0.00 0.00 43.02 42.44 3dx8 s PHE 241 CO 0.39 0.40 -0.10 -0.65 0.70 0.00 0.00 175.22 175.95 3dx8 s GLN 242 N -3.65 0.74 0.01 0.44 -0.21 0.21 -2.17 119.66 115.03 3dx8 s GLN 242 Ca 0.26 -0.98 -0.26 0.00 0.02 0.00 0.00 55.36 54.40 3dx8 s GLN 242 Cb 0.00 -0.52 0.06 0.00 1.00 0.00 0.00 33.01 33.55 3dx8 s GLN 242 CO 0.10 0.09 0.59 0.21 -2.12 0.00 0.00 175.29 174.16 3dx8 s LYS 243 N -2.17 1.04 0.07 2.91 2.20 -0.35 -1.22 119.74 122.22 3dx8 s LYS 243 Ca -0.01 -0.03 -0.00 0.00 -0.36 0.00 0.00 55.97 55.57 3dx8 s LYS 243 Cb -0.07 0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 3dx8 s LYS 243 CO 0.01 -0.36 -0.02 1.67 -0.36 0.00 0.00 175.35 176.28 3dx8 s TRP 244 N -1.91 0.64 -0.01 4.03 1.48 -1.26 -0.90 118.94 121.01 3dx8 s TRP 244 Ca -0.08 -1.06 0.02 0.00 -1.06 0.00 0.00 56.10 53.92 3dx8 s TRP 244 Cb -0.01 -0.43 0.00 0.00 -1.16 0.00 0.00 33.47 31.87 3dx8 s TRP 244 CO 0.03 -0.35 -0.06 0.00 -4.06 0.00 0.00 176.95 172.50 3dx8 s ALA 245 N -3.88 0.56 0.01 2.67 0.00 -0.50 -2.56 121.76 118.07 3dx8 s ALA 245 Ca 0.10 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.88 3dx8 s ALA 245 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3dx8 s ALA 245 CO -0.07 0.11 -0.14 0.00 0.00 0.00 0.00 175.76 175.66 3dx8 s ALA 246 N 0.06 1.14 0.04 0.00 0.00 0.85 -0.09 121.76 123.78 3dx8 s ALA 246 Ca -0.00 -0.70 0.07 0.00 0.00 0.00 0.00 51.96 51.33 3dx8 s ALA 246 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3dx8 s ALA 246 CO -0.00 0.25 -0.19 0.14 0.00 0.00 0.00 175.76 175.95 3dx8 s VAL 247 N -0.57 1.56 -0.34 0.00 -7.23 -0.59 -0.84 120.40 112.39 3dx8 s VAL 247 Ca 0.03 -1.17 -0.14 0.00 -1.81 0.00 0.00 61.98 58.89 3dx8 s VAL 247 Cb -0.06 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.49 3dx8 s VAL 247 CO 0.00 0.16 0.32 -0.69 -0.31 0.00 0.00 175.10 174.58 3dx8 s VAL 248 N -0.82 5.21 0.19 1.32 1.01 -1.26 -0.77 120.40 125.28 3dx8 s VAL 248 Ca 0.06 -0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.14 3dx8 s VAL 248 Cb -0.09 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3dx8 s VAL 248 CO 0.02 -0.04 -0.24 0.68 0.00 0.00 0.00 175.10 175.51 3dx8 s VAL 249 N 1.91 2.33 0.28 2.92 -7.23 0.58 -4.93 120.40 116.26 3dx8 s VAL 249 Ca 0.10 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 57.96 3dx8 s VAL 249 Cb -0.17 -2.11 -0.10 0.00 0.56 0.00 0.00 36.38 34.57 3dx8 s VAL 249 CO 0.11 -0.11 1.28 -2.84 -0.31 0.00 0.00 175.10 173.23 3dx8 s PRO 250 N -2.64 4.40 0.40 4.82 0.02 -1.26 -0.58 135.00 140.16 3dx8 s PRO 250 Ca 0.20 2.11 -0.27 0.00 0.02 0.00 0.00 61.00 63.06 3dx8 s PRO 250 Cb -0.08 -3.13 -0.09 0.00 0.02 0.00 0.00 34.50 31.22 3dx8 s PRO 250 CO 0.10 -0.16 1.41 -1.54 -0.33 0.00 0.00 177.00 176.47 3dx8 s SER 251 N -0.23 6.22 0.00 2.53 1.04 -0.79 -1.88 113.70 120.59 3dx8 s SER 251 Ca 0.51 2.88 0.00 0.00 0.48 0.00 0.00 55.95 59.83 3dx8 s SER 251 Cb -0.38 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.09 3dx8 s SER 251 CO 0.46 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3dx8 n GLY 252 N 0.58 2.81 1.90 7.32 0.00 -1.26 -4.87 105.19 111.67 3dx8 n GLY 252 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3dx8 n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dx8 n GLU 253 N -0.00 3.01 -0.04 1.61 1.02 -0.79 -4.61 120.64 120.84 3dx8 n GLU 253 Ca 0.00 -2.62 -0.01 0.00 -0.02 0.00 0.00 57.16 54.51 3dx8 n GLU 253 Cb 0.00 -2.07 0.25 0.00 -0.02 0.00 0.00 31.44 29.60 3dx8 n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3dx8 h GLU 254 N 1.91 0.61 -0.00 3.49 3.07 -1.90 -2.97 114.58 118.80 3dx8 h GLU 254 Ca 0.32 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3dx8 h GLU 254 Cb 2.26 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 30.08 3dx8 h GLU 254 CO 0.73 0.63 -0.05 1.04 -1.40 0.00 0.00 179.01 179.96 3dx8 n GLN 255 N -4.26 0.65 0.00 2.33 1.13 -1.26 -2.25 117.38 113.72 3dx8 n GLN 255 Ca 0.02 -0.12 0.10 0.00 -1.94 0.00 0.00 57.00 55.06 3dx8 n GLN 255 Cb 0.26 -1.50 0.46 0.00 0.11 0.00 0.00 30.24 29.57 3dx8 n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3dx8 n ARG 256 N -1.07 0.01 -4.59 -1.09 1.74 -1.12 -4.81 116.66 105.73 3dx8 n ARG 256 Ca 0.16 0.13 -0.33 0.00 -0.77 0.00 0.00 57.85 57.04 3dx8 n ARG 256 Cb 0.24 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.05 3dx8 n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dx8 s TYR 257 N -2.98 2.92 -0.02 -1.55 1.51 -0.96 -1.31 117.35 114.96 3dx8 s TYR 257 Ca 0.11 -0.43 0.07 0.00 -1.01 0.00 0.00 57.07 55.80 3dx8 s TYR 257 Cb 0.14 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 3dx8 s TYR 257 CO 0.39 -0.09 -0.23 0.95 -1.11 0.00 0.00 175.55 175.46 3dx8 s THR 258 N 0.27 1.83 -0.17 -0.71 -4.23 -0.59 -4.68 115.64 107.36 3dx8 s THR 258 Ca -0.06 -0.99 -0.15 0.00 -1.18 0.00 0.00 61.69 59.31 3dx8 s THR 258 Cb -0.15 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 3dx8 s THR 258 CO 0.04 0.52 0.35 0.00 -0.54 0.00 0.00 174.62 174.99 3dx8 s HIS 260 N 0.82 2.89 -0.24 0.00 3.76 0.15 -0.07 115.29 122.60 3dx8 s HIS 260 Ca 0.18 -1.03 -0.01 0.00 -0.15 0.00 0.00 55.06 54.05 3dx8 s HIS 260 Cb -0.14 -2.01 0.03 0.00 1.11 0.00 0.00 32.58 31.56 3dx8 s HIS 260 CO 0.06 -0.54 -0.07 0.08 -0.85 0.00 0.00 174.74 173.43 3dx8 s VAL 261 N 1.21 2.82 -0.14 -0.90 1.01 -0.60 -1.77 120.40 122.02 3dx8 s VAL 261 Ca 0.02 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 3dx8 s VAL 261 Cb -0.14 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3dx8 s VAL 261 CO -0.04 0.22 -0.03 -1.10 0.00 0.00 0.00 175.10 174.15 3dx8 s GLN 262 N 1.32 3.54 -0.24 2.72 -0.21 -0.46 -2.13 119.66 124.20 3dx8 s GLN 262 Ca 0.00 -0.49 -0.25 0.00 0.02 0.00 0.00 55.36 54.64 3dx8 s GLN 262 Cb -0.16 -2.89 0.07 0.00 1.00 0.00 0.00 33.01 31.02 3dx8 s GLN 262 CO -0.05 0.34 0.69 -1.58 -2.12 0.00 0.00 175.29 172.57 3dx8 s HIS 263 N 0.11 -0.75 0.59 0.91 2.46 -1.26 -1.44 115.29 115.90 3dx8 s HIS 263 Ca -0.00 1.80 0.39 0.00 0.47 0.00 0.00 55.06 57.72 3dx8 s HIS 263 Cb -0.13 0.27 2.15 0.00 -0.13 0.00 0.00 32.58 34.74 3dx8 s HIS 263 CO 0.03 -0.39 2.30 1.05 -2.47 0.00 0.00 174.74 175.26 3dx8 h GLU 264 N 4.87 0.00 0.00 2.88 4.11 -1.94 0.54 114.58 125.04 3dx8 h GLU 264 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 3dx8 h GLU 264 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dx8 h GLU 264 CO 0.09 0.01 0.00 0.41 0.07 0.00 0.00 179.01 179.59 3dx8 n GLY 265 N -1.01 -1.16 3.81 1.06 0.00 -1.26 -4.74 105.19 101.89 3dx8 n GLY 265 Ca -0.03 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3dx8 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dx8 s LEU 266 N -3.57 4.52 0.00 0.99 1.43 0.19 -4.52 118.68 117.72 3dx8 s LEU 266 Ca 0.07 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 3dx8 s LEU 266 Cb 0.10 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.46 3dx8 s LEU 266 CO 0.34 0.28 0.00 -2.65 0.23 0.00 0.00 176.35 174.55 3dx8 n PRO 267 N 1.71 0.00 0.00 1.29 -0.02 -1.26 -4.69 135.00 132.04 3dx8 n PRO 267 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 3dx8 n PRO 267 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 3dx8 n PRO 267 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3dx8 n LYS 268 N 13.55 0.00 -1.57 -0.52 4.01 -1.26 -5.13 118.16 127.25 3dx8 n LYS 268 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3dx8 n LYS 268 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3dx8 n LYS 268 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 3dx8 n PRO 269 N 0.00 -0.23 -3.32 1.97 -0.02 -1.26 -4.96 135.00 127.18 3dx8 n PRO 269 Ca 0.00 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 3dx8 n PRO 269 Cb 0.00 -0.40 -0.06 0.00 -0.02 0.00 0.00 33.50 33.02 3dx8 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dx8 s LEU 270 N -0.32 4.20 -0.09 2.45 1.02 -0.90 -4.95 118.68 120.10 3dx8 s LEU 270 Ca 0.00 1.07 0.02 0.00 0.02 0.00 0.00 54.13 55.24 3dx8 s LEU 270 Cb 0.00 -3.65 0.01 0.00 0.02 0.00 0.00 46.19 42.57 3dx8 s LEU 270 CO 0.00 -0.05 -0.14 -0.89 0.02 0.00 0.00 176.35 175.29 3dx8 s THR 271 N -1.74 1.36 0.11 5.49 2.01 -1.26 -1.57 115.64 120.04 3dx8 s THR 271 Ca 0.46 -0.59 0.10 0.00 0.31 0.00 0.00 61.69 61.97 3dx8 s THR 271 Cb -0.12 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 3dx8 s THR 271 CO 0.20 0.41 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.53 3dx8 s LEU 272 N 0.78 2.29 0.15 4.42 1.02 0.90 -4.95 118.68 123.30 3dx8 s LEU 272 Ca -0.12 -0.70 0.07 0.00 0.02 0.00 0.00 54.13 53.40 3dx8 s LEU 272 Cb -0.16 -1.10 -0.04 0.00 0.02 0.00 0.00 46.19 44.92 3dx8 s LEU 272 CO 0.02 0.14 -0.14 -0.13 0.02 0.00 0.00 176.35 176.26 3dx8 s ARG 273 N -1.90 1.14 0.12 1.70 0.52 -1.26 -0.52 118.95 118.75 3dx8 s ARG 273 Ca 0.11 -1.37 -0.32 0.00 -0.52 0.00 0.00 55.73 53.63 3dx8 s ARG 273 Cb -0.10 -0.99 -0.11 0.00 0.52 0.00 0.00 34.95 34.27 3dx8 s ARG 273 CO 0.05 0.18 1.79 1.87 0.02 0.00 0.00 175.30 179.21 3dx8 n TRP 274 N 0.20 2.56 -3.72 -0.53 -0.00 -1.26 -4.69 117.44 110.00 3dx8 n TRP 274 Ca -0.13 -0.05 -0.37 0.00 -0.00 0.00 0.00 57.50 56.95 3dx8 n TRP 274 Cb 0.58 -2.69 -0.10 0.00 -0.00 0.00 0.00 31.31 29.10 3dx8 n TRP 274 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 3dx8 s GLU 275 N 2.43 2.35 0.00 5.87 2.02 -1.26 -5.00 118.70 125.10 3dx8 s GLU 275 Ca 0.82 -2.19 0.06 0.00 0.02 0.00 0.00 54.97 53.67 3dx8 s GLU 275 Cb -0.53 -3.70 0.35 0.00 0.10 0.00 0.00 34.13 30.35 3dx8 s GLU 275 CO 0.38 -1.14 0.81 -2.30 0.02 0.00 0.00 175.26 173.04